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  • 57-09-0 Structure
  • Basic information

    1. Product Name: Hexadecyl trimethyl ammonium bromide
    2. Synonyms: N-CETYL-N,N,N-TRIMETHYLAMMONIUM BROMIDE;N,N,N-TRIMETHYLTETRADECYLAMMONIUM BROMIDE;N-HEXADECYL-N,N,N-TRIMETHYLAMMONIUM BROMIDE;N-HEXADECYLTRIMETHYLAMMONIUM BROMIDE;PALMITYLTRIMETHYLAMMONIUM BROMIDE;TIMTEC-BB SBB008910;TRIMETHYLHEXADECYL-AMMONIUM BROMIDE;1-Hexadecanaminium,N,N,N-trimethyl-,bromide
    3. CAS NO:57-09-0
    4. Molecular Formula: Br*C19H42N
    5. Molecular Weight: 364.45
    6. EINECS: 200-311-3
    7. Product Categories: Organics;Ammonium Bromides (Quaternary);Biochemistry;Cationic Surfactants (for Biochemistry);Quaternary Ammonium Compounds;Surfactants (for Biochemistry);CETAB;Pharmaceutical raw materials
    8. Mol File: 57-09-0.mol
    9. Article Data: 37
  • Chemical Properties

    1. Melting Point: 248-251 °C(lit.)
    2. Boiling Point: N/A
    3. Flash Point: 244 °C
    4. Appearance: white/powder
    5. Density: 1.1107 (rough estimate)
    6. Refractive Index: 1.5260 (estimate)
    7. Storage Temp.: Store at RT.
    8. Solubility: H2O: 50 mg/mL
    9. Water Solubility: 13 g/L (20 ºC)
    10. Sensitive: Hygroscopic
    11. Stability: Stable. Incompatible with strong oxidizing agents. Protect from moisture.
    12. Merck: 14,2025
    13. BRN: 3598189
    14. CAS DataBase Reference: Hexadecyl trimethyl ammonium bromide(CAS DataBase Reference)
    15. NIST Chemistry Reference: Hexadecyl trimethyl ammonium bromide(57-09-0)
    16. EPA Substance Registry System: Hexadecyl trimethyl ammonium bromide(57-09-0)
  • Safety Data

    1. Hazard Codes: Xn,N
    2. Statements: 22-37/38-41-50-50/53-36/37/38-48/22
    3. Safety Statements: 26-39-61-37/39-60-36
    4. RIDADR: UN 3077 9/PG 3
    5. WGK Germany: 3
    6. RTECS: BQ7875000
    7. F: 3
    8. TSCA: Yes
    9. HazardClass: 9
    10. PackingGroup: III
    11. Hazardous Substances Data: 57-09-0(Hazardous Substances Data)

57-09-0 Usage

Description

Hexadecyl trimethyl ammonium bromide, also known as cetyltrimethylammonium bromide or CTAB, is a cationic surfactant and an organic bromide salt. It is a white powder that is soluble in water, alcohol, and chloroform. Hexadecyl trimethyl ammonium bromide is a component of the topical antiseptic cetrimide and is used as a titrant for the potentiometric titration of perchlorate with ion-selective electrodes.

Uses

Used in Antimicrobial Applications:
Hexadecyl trimethyl ammonium bromide is used as an anti-infectant agent for preventing the proliferation of bacteria, fungi, and yeast. It is particularly effective in cosmetic preparations, where it also serves as an emulsifying agent.
Used in Chemical Synthesis:
In the field of chemical synthesis, Hexadecyl trimethyl ammonium bromide is used as a template in the synthesis of Mesoporous γ-Fe2O3, a type of nanomaterial with potential applications in various industries.
Used in Biotechnology:
Hexadecyl trimethyl ammonium bromide is used as a cationic detergent in the isolation of high molecular weight DNA. Its surfactant properties help in the separation and purification of DNA from other cellular components.
Used in Pharmaceutical Industry:
As a component of the topical antiseptic cetrimide, Hexadecyl trimethyl ammonium bromide is used in the pharmaceutical industry for its antimicrobial properties, providing a broad-spectrum of activity against various microorganisms.
Used in Analytical Chemistry:
In analytical chemistry, Hexadecyl trimethyl ammonium bromide is used as a titrant for the potentiometric titration of perchlorate with ion-selective electrodes, allowing for accurate and precise measurements in various applications.

Biochem/physiol Actions

Hexadecyltrimethylammonium bromide also called cetyltrimethylammonium bromide (CTAB), is a cationic surfactant. CTAB is employed for extraction of DNA. CTAB method is efficient, cost and time effective for DNA extraction. CTAB is used as a shaping material and reducing agent for nanoparticle generation.

Purification Methods

Crystallise it from EtOH, EtOH/*benzene or from wet acetone after extracting twice with pet ether. Shake it with anhydrous diethyl ether, filter and dissolve it in a little hot MeOH. After cooling in the refrigerator, the precipitate is filtered off at room temperature and re-dissolved in MeOH. Anhydrous ether is added and, after warming to obtain a clear solution, it is cooled and the crystalline material is collected. [Dearden & Wooley J Phys Chem 91 2404 1987, Hakemi et al. J Am Chem Soc 91 120 1987, Beilstein 4 IV 819.]

Check Digit Verification of cas no

The CAS Registry Mumber 57-09-0 includes 5 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 2 digits, 5 and 7 respectively; the second part has 2 digits, 0 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 57-09:
(4*5)+(3*7)+(2*0)+(1*9)=50
50 % 10 = 0
So 57-09-0 is a valid CAS Registry Number.
InChI:InChI=1/C51H105N.BrH/c1-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49(4)52(50(5)47-44-41-38-35-32-29-26-23-20-17-14-11-8-2)51(6)48-45-42-39-36-33-30-27-24-21-18-15-12-9-3;/h49-51H,7-48H2,1-6H3;1H

57-09-0 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
  • Packaging
  • Price
  • Detail
  • Alfa Aesar

  • (A15235)  (1-Hexadecyl)trimethylammonium bromide, 98%   

  • 57-09-0

  • 100g

  • 354.0CNY

  • Detail
  • Alfa Aesar

  • (A15235)  (1-Hexadecyl)trimethylammonium bromide, 98%   

  • 57-09-0

  • 500g

  • 1032.0CNY

  • Detail
  • Alfa Aesar

  • (A15235)  (1-Hexadecyl)trimethylammonium bromide, 98%   

  • 57-09-0

  • 5000g

  • 5959.0CNY

  • Detail
  • Sigma-Aldrich

  • (52367)  Hexadecyltrimethylammoniumbromide  for ion pair chromatography

  • 57-09-0

  • 52367-10G-F

  • 1,359.54CNY

  • Detail
  • Sigma-Aldrich

  • (52367)  Hexadecyltrimethylammoniumbromide  for ion pair chromatography

  • 57-09-0

  • 52367-50G-F

  • 5,362.11CNY

  • Detail
  • USP

  • (1102974)  Cetrimoniumbromide  United States Pharmacopeia (USP) Reference Standard

  • 57-09-0

  • 1102974-1G

  • 4,662.45CNY

  • Detail
  • Vetec

  • (V900413)  Hexadecyltrimethylammoniumbromide  Vetec reagent grade, 96%

  • 57-09-0

  • V900413-100G

  • 93.60CNY

  • Detail
  • Vetec

  • (V900413)  Hexadecyltrimethylammoniumbromide  Vetec reagent grade, 96%

  • 57-09-0

  • V900413-500G

  • 386.10CNY

  • Detail
  • Sigma-Aldrich

  • (52370)  Hexadecyltrimethylammoniumbromide  ≥96.0% (AT)

  • 57-09-0

  • 52370-100G

  • 434.07CNY

  • Detail
  • Sigma-Aldrich

  • (52370)  Hexadecyltrimethylammoniumbromide  ≥96.0% (AT)

  • 57-09-0

  • 52370-500G

  • 1,487.07CNY

  • Detail

57-09-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name Hexadecyltrimethylammonium bromide

1.2 Other means of identification

Product number -
Other names Hexadecyl trimethyl ammonium bromide

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Lubricants and lubricant additives
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:57-09-0 SDS

57-09-0Synthetic route

hexadecanyl bromide
112-82-3

hexadecanyl bromide

trimethylamine
75-50-3

trimethylamine

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

Conditions
ConditionsYield
With methanol
With ethanol
With ethanol at 115℃;
C19H42N(1+)*C10H7N4O9(1-)

C19H42N(1+)*C10H7N4O9(1-)

A

1,3,6,8-tetranitronaphthalene
28995-89-3

1,3,6,8-tetranitronaphthalene

B

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

Conditions
ConditionsYield
In 1,4-dioxane at 25℃; Equilibrium constant;
hexadecyltrimethylammonium cyanide
74784-26-2

hexadecyltrimethylammonium cyanide

A

sodium cyanide
143-33-9

sodium cyanide

B

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

Conditions
ConditionsYield
With sodium bromide In water at 20℃; Equilibrium constant;
4-(4-Dimethylamino-phenylazo)-benzenesulfonatehexadecyl-trimethyl-ammonium;
99023-50-4

4-(4-Dimethylamino-phenylazo)-benzenesulfonatehexadecyl-trimethyl-ammonium;

A

methyl orange
547-58-0

methyl orange

B

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

Conditions
ConditionsYield
With sodium bromide at 19.9℃; Equilibrium constant; var. temps.;
ethyl bromide
74-96-4

ethyl bromide

N,N-dimethylhexadecylamine
112-69-6

N,N-dimethylhexadecylamine

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

2Br(1-)*C4H5N2(1-)*C19H42N(1+)*Zn(2+)

2Br(1-)*C4H5N2(1-)*C19H42N(1+)*Zn(2+)

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

Conditions
ConditionsYield
In ethanol at 80℃; for 0.0833333h; Sonication;
cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

cetyltrimethylammonium hydroxide
505-86-2

cetyltrimethylammonium hydroxide

Conditions
ConditionsYield
With Amberlyst A-26(OH-)form In methanol100%
With Amberlite CG-400 resin
With Amberlite IRA-900 In methanol
trimethyl sulphoxonium

trimethyl sulphoxonium

4'-fluoro-2-(1H-1,2,4-triazol-1-yl)propiophenone hydrochloride

4'-fluoro-2-(1H-1,2,4-triazol-1-yl)propiophenone hydrochloride

1,1,1-trichloroethane
71-55-6

1,1,1-trichloroethane

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

2-(4-fluorophenyl)-2-[1-(1H-1,2,4-triazol-1-yl)ethyl]oxirane

2-(4-fluorophenyl)-2-[1-(1H-1,2,4-triazol-1-yl)ethyl]oxirane

Conditions
ConditionsYield
With sodium hydroxide99%
cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

cetyltrimethylammonium tribromide

cetyltrimethylammonium tribromide

Conditions
ConditionsYield
With sulfuric acid; dihydrogen peroxide; potassium bromide; molybdic acid In water at 0 - 20℃; for 0.916667 - 3.5h; Product distribution / selectivity;98.86%
potassium dichromate

potassium dichromate

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

cetyl-trimethylammonium dichromate

cetyl-trimethylammonium dichromate

Conditions
ConditionsYield
In H2O synthesized by treating K2Cr2O7 in aqueous solution of ammonium-compd.; isolated, washed with H2O, dried in vac., kept in a dark bottle inside adesiccator, elem. anal.;98%
iron(III) chloride

iron(III) chloride

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

cethyltrimethylammonium bromide

cethyltrimethylammonium bromide

Conditions
ConditionsYield
In methanol at 20℃; for 12h; Inert atmosphere;98%
cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

cetyltrimethylammonium tribromide

cetyltrimethylammonium tribromide

Conditions
ConditionsYield
With bromine In water97%
With dihydrogen peroxide; vanadia at 5℃; Yield given;
cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

cetyl trimethylammonium tribromide
52752-51-9

cetyl trimethylammonium tribromide

Conditions
ConditionsYield
With dihydrogen peroxide; sodium carbonate; potassium bromide In water at 20℃; for 0.0833333h;96%
With 3-chloro-benzenecarboperoxoic acid; potassium bromide In water for 0.1h;90%
With potassium peroxymonosulfate; sodium bromide In water for 1h;90%
cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

N,N,N-trimethylhexadecylammonium iodide
7192-88-3

N,N,N-trimethylhexadecylammonium iodide

Conditions
ConditionsYield
With potassium iodide In water95%
cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

cetyltrimethylammonium peroxodisulphate

cetyltrimethylammonium peroxodisulphate

Conditions
ConditionsYield
With dipotassium peroxodisulfate In water93%
With dipotassium peroxodisulfate In water at 20℃; for 0.333333h;92%
With dipotassium peroxodisulfate In water
cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

bis(trifluoromethane)sulfonimide lithium
90076-65-6

bis(trifluoromethane)sulfonimide lithium

N,N′,N′′,N′′′-hexadecyltrimethylammonium bis(trifluoromethylsulfonyl)imide
1031250-01-7

N,N′,N′′,N′′′-hexadecyltrimethylammonium bis(trifluoromethylsulfonyl)imide

Conditions
ConditionsYield
In water at 20℃; for 1h;93%
potassium permanganate
7722-64-7

potassium permanganate

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

cethyltrimethylammonium permanganate
73257-07-5

cethyltrimethylammonium permanganate

Conditions
ConditionsYield
In H2O ammonium-compd. stirred with an equivalent amount of KMnO4 in H2O; separated, washed with H2O;92%
In water pptn.; from lit. Int. J. Chem. Kinet. 27 (7) (1995) 627;
In water pptn. of an aq. soln. of cetyltrimethylammonium bromide with a satd. soln. of KMnO4; washed (cold water), dried for several hours under vac.;
potassium permanganate
7722-64-7

potassium permanganate

sodium tungstate (VI) dihydrate
10213-10-2

sodium tungstate (VI) dihydrate

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

boric acid
11113-50-1

boric acid

4C16H33(CH3)3N(1+)*2H(1+)*Mn(3+)*H2O*BW11O39(9-)*10H2O=[C16H33(CH3)3N]4H2[Mn(H2O)BW11O39]*10H2O

4C16H33(CH3)3N(1+)*2H(1+)*Mn(3+)*H2O*BW11O39(9-)*10H2O=[C16H33(CH3)3N]4H2[Mn(H2O)BW11O39]*10H2O

Conditions
ConditionsYield
In water; 1,2-dichloro-ethane Mn and W salts mixed in H2O, treated with H3BO3, treated dropwise with excess of hexadecyltrimethylammonium bromide in water with stirring at 80-85°C; washed(water), dried (vac.), elem. anal.;92%
indigo 5,5'-disulfonic acid
483-20-5

indigo 5,5'-disulfonic acid

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

C16H8N2O8S2(2-)*2C19H42N(1+)

C16H8N2O8S2(2-)*2C19H42N(1+)

Conditions
ConditionsYield
In water at 80℃; for 2h;92%
bismuth(III) nitrate

bismuth(III) nitrate

water
7732-18-5

water

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

cetyltrimethylammonium chloride
112-02-7

cetyltrimethylammonium chloride

BiOCl0.8Br0.2

BiOCl0.8Br0.2

Conditions
ConditionsYield
With acetic acid at 20℃; for 0.5h;91%
ammonium cerium (IV) nitrate
16774-21-3

ammonium cerium (IV) nitrate

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

cetyltrimethylammonium cerium nitrate

cetyltrimethylammonium cerium nitrate

Conditions
ConditionsYield
In H2O Ce-compd. in H2O added slowly to ammonium-compd. in H2O with continuous stirring, stirred for 30 min; filtered, washed with chilled H2O, dried in vac., kept in a dark bottle inside a desiccator, elem. anal.;90%
potassium hexacyanoruthenate(II)

potassium hexacyanoruthenate(II)

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

4(CH3)3N(CH2)15CH3(1+)*Ru(CN)6(4-)=[(CH3)3N(CH2)15CH3]4[Ru(CN)6]

4(CH3)3N(CH2)15CH3(1+)*Ru(CN)6(4-)=[(CH3)3N(CH2)15CH3]4[Ru(CN)6]

Conditions
ConditionsYield
In methanol pptn. on addn. of 4 equiv. ammonium salt to Ru-complex (stirring); water addn., stirring for 10 min, collection (filtration), washing (water, MeOH, ether), drying (vac.);86%
potassium tetrachloroplatinate(II)
10025-99-7

potassium tetrachloroplatinate(II)

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

2(CH3)3(C16H33)N(1+)*PtCl4(2-) = [(CH3)3(C16H33)N]2[PtCl4]

2(CH3)3(C16H33)N(1+)*PtCl4(2-) = [(CH3)3(C16H33)N]2[PtCl4]

Conditions
ConditionsYield
In water at 20℃; for 6h;86%
[1,3]-dioxolan-2-one
96-49-1

[1,3]-dioxolan-2-one

2,4-dihydroxybenzophenone
131-56-6

2,4-dihydroxybenzophenone

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

2-hydroxy-4-(2'-hydroxyethoxy)benzophenone
16909-78-7

2-hydroxy-4-(2'-hydroxyethoxy)benzophenone

Conditions
ConditionsYield
In water85%
1,5-bis-(1-phenyl-3-methyl-2-pyrazol-5-on-4-yl)-1,5-pentanedione
122835-10-3

1,5-bis-(1-phenyl-3-methyl-2-pyrazol-5-on-4-yl)-1,5-pentanedione

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

neodymium trichloride
10024-93-8

neodymium trichloride

{C16H33(CH3)3N}(1+)*{NdO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4}(1-)=C16H33(CH3)3NNdO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4

{C16H33(CH3)3N}(1+)*{NdO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4}(1-)=C16H33(CH3)3NNdO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4

Conditions
ConditionsYield
With NaOH In ethanol the pentadione-derivate and cetyltrimethyl ammonium bromide are dissolved in EtOH/NaOH and the pH of this soln. is adjusted to 8-9, lanthanide chloride is added, stirring for 2 h at room temp.; distilled water is added into the mother soln., the ppt. is centrifugally separated, the ppt. is washed with 50% EtOH and water, the product is dried at 50°C in a vac. dryer, elem. anal.;85%
1,5-bis-(1-phenyl-3-methyl-2-pyrazol-5-on-4-yl)-1,5-pentanedione
122835-10-3

1,5-bis-(1-phenyl-3-methyl-2-pyrazol-5-on-4-yl)-1,5-pentanedione

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

yttrium(III) chloride
10361-92-9

yttrium(III) chloride

{C16H33(CH3)3N}(1+)*{YO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4}(1-)=C16H33(CH3)3NYO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4

{C16H33(CH3)3N}(1+)*{YO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4}(1-)=C16H33(CH3)3NYO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4

Conditions
ConditionsYield
With NaOH In ethanol the pentadione-derivate and cetyltrimethyl ammonium bromide are dissolved in EtOH/NaOH and the pH of this soln. is adjusted to 8-9, YCl3 is added, stirring for 2 h at room temp.; distilled water is added into the mother soln., the ppt. is centrifugally separated, the ppt. is washed with 50% EtOH and water, the product is dried at 50°C in a vac. dryer, elem. anal.;85%
1,5-bis-(1-phenyl-3-methyl-2-pyrazol-5-on-4-yl)-1,5-pentanedione
122835-10-3

1,5-bis-(1-phenyl-3-methyl-2-pyrazol-5-on-4-yl)-1,5-pentanedione

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

praseodymium(III) chloride
10361-79-2

praseodymium(III) chloride

{C16H33(CH3)3N}(1+)*{PrO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4}(1-)=C16H33(CH3)3NPrO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4

{C16H33(CH3)3N}(1+)*{PrO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4}(1-)=C16H33(CH3)3NPrO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4

Conditions
ConditionsYield
With NaOH In ethanol the pentadione-derivate and cetyltrimethyl ammonium bromide are dissolved in EtOH/NaOH and the pH of this soln. is adjusted to 8-9, lanthanide chloride is added, stirring for 2 h at room temp.; distilled water is added into the mother soln., the ppt. is centrifugally separated, the ppt. is washed with 50% EtOH and water, the product is dried at 50°C in a vac. dryer, elem. anal.;85%
(RS)-2-(4-chloro-o-tolyloxy)propionic acid
93-65-2

(RS)-2-(4-chloro-o-tolyloxy)propionic acid

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

hexadecyltrimethylammonium (+/-)-2-(4-chloro-2-methylphenoxy)propionate
1354726-01-4

hexadecyltrimethylammonium (+/-)-2-(4-chloro-2-methylphenoxy)propionate

Conditions
ConditionsYield
Stage #1: (RS)-2-(4-chloro-o-tolyloxy)propionic acid With sodium hydroxide In water at 49.84℃;
Stage #2: cetyltrimethylammonim bromide In water for 2h;
85%
5,10-dihydroindeno[1,2-b]indole
3254-91-9

5,10-dihydroindeno[1,2-b]indole

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

5-Methyl-5,10-dihydroindeno[1,2-b]indole
7428-85-5

5-Methyl-5,10-dihydroindeno[1,2-b]indole

Conditions
ConditionsYield
With methyl iodide In sodium hydroxide; benzene84%
1,5-bis-(1-phenyl-3-methyl-2-pyrazol-5-on-4-yl)-1,5-pentanedione
122835-10-3

1,5-bis-(1-phenyl-3-methyl-2-pyrazol-5-on-4-yl)-1,5-pentanedione

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

lanthanum(III) chloride
10099-58-8

lanthanum(III) chloride

{C16H33(CH3)3N}(1+)*{LaO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4}(1-)=C16H33(CH3)3NLaO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4

{C16H33(CH3)3N}(1+)*{LaO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4}(1-)=C16H33(CH3)3NLaO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4

Conditions
ConditionsYield
With NaOH In ethanol the pentadione-derivate and cetyltrimethyl ammonium bromide are dissolved in EtOH/NaOH and the pH of this soln. is adjusted to 8-9, lanthanide chloride is added, stirring for 2 h at room temp.; distd. water is added into the mother soln., the ppt. is centrifugally separated, the ppt. is washed with 50% EtOH and water, the product is dried at 50°C in a vac. dryer, elem. anal.;84%
dysprosium(III) trichloride
10025-74-8

dysprosium(III) trichloride

1,5-bis-(1-phenyl-3-methyl-2-pyrazol-5-on-4-yl)-1,5-pentanedione
122835-10-3

1,5-bis-(1-phenyl-3-methyl-2-pyrazol-5-on-4-yl)-1,5-pentanedione

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

{C16H33(CH3)3N}(1+)*{DyO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4}(1-)=C16H33(CH3)3NDyO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4

{C16H33(CH3)3N}(1+)*{DyO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4}(1-)=C16H33(CH3)3NDyO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4

Conditions
ConditionsYield
With NaOH In ethanol the pentadione-derivate and cetyltrimethyl ammonium bromide are dissolved in EtOH/NaOH and the pH of this soln. is adjusted to 8-9, lanthanide chloride is added, stirring for 2 h at room temp.; distilled water is added into the mother soln., the ppt. is centrifugally separated, the ppt. is washed with 50% EtOH and water, the product is dried at 50°C in a vac. dryer, elem. anal.;83%
1,5-bis-(1-phenyl-3-methyl-2-pyrazol-5-on-4-yl)-1,5-pentanedione
122835-10-3

1,5-bis-(1-phenyl-3-methyl-2-pyrazol-5-on-4-yl)-1,5-pentanedione

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

gadolinium(III) chloride
10138-52-0

gadolinium(III) chloride

{C16H33(CH3)3N}(1+)*{GdO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4}(1-)=C16H33(CH3)3NGdO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4

{C16H33(CH3)3N}(1+)*{GdO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4}(1-)=C16H33(CH3)3NGdO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4

Conditions
ConditionsYield
With NaOH In ethanol the pentadione-derivate and cetyltrimethyl ammonium bromide are dissolved in EtOH/NaOH and the pH of this soln. is adjusted to 8-9, lanthanide chloride is added, stirring for 2 h at room temp.; distilled water is added into the mother soln., the ppt. is centrifugally separated, the ppt. is washed with 50% EtOH and water, the product is dried at 50°C in a vac. dryer, elem. anal.;82%
1,5-bis-(1-phenyl-3-methyl-2-pyrazol-5-on-4-yl)-1,5-pentanedione
122835-10-3

1,5-bis-(1-phenyl-3-methyl-2-pyrazol-5-on-4-yl)-1,5-pentanedione

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

terbium(III) chloride
10042-88-3

terbium(III) chloride

{C16H33(CH3)3N}(1+)*{TbO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4}(1-)=C16H33(CH3)3NTbO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4

{C16H33(CH3)3N}(1+)*{TbO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4}(1-)=C16H33(CH3)3NTbO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4

Conditions
ConditionsYield
With NaOH In ethanol the pentadione-derivate and cetyltrimethyl ammonium bromide are dissolved in EtOH/NaOH and the pH of this soln. is adjusted to 8-9, lanthanide chloride is added, stirring for 2 h at room temp.; distilled water is added into the mother soln., the ppt. is centrifugally separated, the ppt. is washed with 50% EtOH and water, the product is dried at 50°C in a vac. dryer, elem. anal.;82%
sodium molybdate dihydrate
7631-95-0

sodium molybdate dihydrate

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

oxalic acid dihydrate
6153-56-6

oxalic acid dihydrate

C2MoO9(2-)*H2O*2C19H42N(1+)

C2MoO9(2-)*H2O*2C19H42N(1+)

Conditions
ConditionsYield
Stage #1: sodium molybdate dihydrate With sulfuric acid; dihydrogen peroxide In water pH=2;
Stage #2: cetyltrimethylammonim bromide; oxalic acid dihydrate In water for 0.0833333h; pH=2; Cooling with ice;
82%
sodium molybdate dihydrate
7631-95-0

sodium molybdate dihydrate

dihydrogen peroxide
7722-84-1

dihydrogen peroxide

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

oxalic acid
144-62-7

oxalic acid

C2MoO9(2-)*2C19H42N(1+)

C2MoO9(2-)*2C19H42N(1+)

Conditions
ConditionsYield
Stage #1: sodium molybdate dihydrate; dihydrogen peroxide With sulfuric acid In water pH=2;
Stage #2: cetyltrimethylammonim bromide; oxalic acid In water for 0.0833333h; pH=2; Cooling with ice;
82%
cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

cetyltrimethylammonium hypochlorite
1346270-26-5

cetyltrimethylammonium hypochlorite

Conditions
ConditionsYield
With sodium hypochlorite; chlorine In dichloromethane at 20℃;81%

57-09-0Relevant articles and documents

Bunton,C.A. et al.

, p. 121 - 124 (1971)

-

Jaeger,D.A.,Chou,P.K.,Durgadas,D.

, p. 5123 (1988)

-

WAX COMPOSITIONS COMPRISING LINEAR OLEFIN DIMERS OR HODROGENATED VARIANTS THEREOF AND METHODS FOR PRODUCTION THEREOF

-

Paragraph 0142-0147; 150, (2021/09/17)

Wax compositions may be obtained by providing an olefinic feed comprising a first linear alpha olefin having m carbon atoms and a second linear alpha olefin having n carbon atoms, wherein m and n are independently selected integers each ranging from about 12 to about 100, and the olefinic feed optionally comprises one or more internal olefins and/or one or more branched olefins; contacting the olefinic feed with a metal carbene catalyst in a reactor; forming ethylene and a hydrocarbon substance comprising a linear olefin dimer comprising two carbon atoms less than a sum of m and n; removing the ethylene from the reactor while forming the linear olefin dimer; and isolating a wax composition comprising the linear olefin dimer, a hydrogenated reaction product thereof, or any combination thereof.

Odd-even effect and unusual behavior of dodecyl-substituted analogue observed in the crystal structure of alkyltrimethylammonium-[Ni(dmit) 2]- salts

Dai, Kotaro,Nomoto, Kuniharu,Ueno, Shinji,Tomono, Kazuaki,Miyamura, Kazuo

experimental part, p. 312 - 319 (2011/05/13)

A series of [Ni(dmit)2]- (dmit: 1,3-dithiole-2- thione-4,5-dithiolato) salts of alkyltrimethylammonium (Cn: n represents the alkyl chain length; n = 3 and 518) have been prepared and analyzed by X-ray structural analysis. All complex salts have been found to be composed of alternate sheets of [Ni(dmit)2]- anions and sheets of cations with a pronounced interdigitation of the alkyl chains. However, molecular arrangement differed between (C3)[Ni(dmit)2] and other (Cn)[Ni(dmit)2] (n = 518). Adjacent cations were aligned along the long axis of [Ni(dmit)2]- anion in C3 complex salt, while in others (C5-C18 complex salts), they were aligned toward the short axis. Such a difference in arrangement arose from correlativity between the lengths of the long axis of cation and anion, namely CLCA. Furthermore, relative orientation between the alkyl chain of cation and [Ni(dmit)2]- anion differed between the odd- and even-numbered cations for C10-C18. Whereas the plane of alkyl chain for odd-numbered cation was normal to the plane of [Ni(dmit)2]- anion, that of even-numbered cation was parallel. It was also found that C12 analog behaved like odd-numbered cations. However, in C12 salt, the end methyl group of the dodecyl group adopted unusual end-gauche conformation.

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