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CAS No.: | 3296-90-0 |
---|---|
Name: | 2,2-Bis(bromomethyl)propane-1,3-diol |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C5H10Br2O2 |
Molecular Weight: | 261.941 |
Synonyms: | 1,3-Dibromo-2,2-bis(hydroxymethyl)propane;1,3-Dibromo-2,2-dihydroxymethylpropane;1,3-Dibromo-2,2-dimethylolpropane;2,2-Bis(bromomethyl)-1,3-propanediol;2,2-Dibromomethyl-1,3-propanediol;Dibromoneopentyl glycol;FR 1138;FR 522;NSC 9001;Pentaerythritol dibromide;Pentaerythritol dibromohydrin; |
EINECS: | 221-967-7 |
Density: | 1.977 g/cm3 |
Melting Point: | 112-114 °C(lit.) |
Boiling Point: | 370.9 °C at 760 mmHg |
Flash Point: | 178.1 °C |
Solubility: | 19.4g/L at 20℃ |
Appearance: | off-white powder |
Hazard Symbols: | T,Xn |
Risk Codes: | 45-36/37/38-40-22 |
Safety: | 53-23-26-36/37/39-45-36/37 |
PSA: | 40.46000 |
LogP: | 0.74720 |
Pentaerythritol
acetic acid
A
bis(bromomethyl)bis(hydroxymethyl)methane
B
2,2-bis(bromomethyl)-3-bromo-propan-1-ol
C
3-bromo-2,2-bis(bromomethyl)propyl acetate
Conditions | Yield |
---|---|
With sulfuric acid; hydrogen bromide In water for 10h; Heating; | A n/a B 49% C 37% D n/a |
Conditions | Yield |
---|---|
With sulfuric acid; hydrogen bromide; acetic acid Reflux; | 34% |
With hydrogen bromide | |
With hydrogen bromide at 125℃; |
Pentaerythritol
A
bis(bromomethyl)bis(hydroxymethyl)methane
B
2,2-bis(bromomethyl)-3-bromo-propan-1-ol
Conditions | Yield |
---|---|
With hydrogen bromide at 125℃; |
Pentaerythritol
hydrogen bromide
bis(bromomethyl)bis(hydroxymethyl)methane
Conditions | Yield |
---|---|
at 125℃; |
Pentaerythritol
hydrogen bromide
A
bis(bromomethyl)bis(hydroxymethyl)methane
B
2,2-bis(bromomethyl)-3-bromo-propan-1-ol
Conditions | Yield |
---|---|
at 125℃; |
Pentaerythritol
sodium hydrogencarbonate
bis(bromomethyl)bis(hydroxymethyl)methane
Conditions | Yield |
---|---|
With aqueous HBr; HBr gas In ice-water; hydrogen bromide; chlorobenzene |
diethyl acetal
bis(bromomethyl)bis(hydroxymethyl)methane
5,5-bis(bromomethyl)-2-methyl-1,3-dioxane
Conditions | Yield |
---|---|
With acetic acid for 1h; Heating; | 100% |
bis(bromomethyl)bis(hydroxymethyl)methane
2,2-bis(azidomethyl)propan-1,3-diol
Conditions | Yield |
---|---|
With sodium azide In N,N-dimethyl-formamide at 120℃; for 20h; | 100% |
With sodium azide In dimethyl sulfoxide at 110℃; for 16h; Inert atmosphere; | 95.3% |
With sodium azide; sodium hydride In N,N-dimethyl-formamide at 120℃; for 24h; | 95% |
bis(bromomethyl)bis(hydroxymethyl)methane
2,2-dimethoxy-propane
5,5-bis-bromomethyl-2,2-dimethyl-[1,3]dioxane
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In acetone for 2h; Ambient temperature; | 100% |
With toluene-4-sulfonic acid at 0 - 20℃; for 2h; | 100% |
With toluene-4-sulfonic acid In acetone at 0 - 20℃; for 2h; | 100% |
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IUPAC Name: 2,2-bis(Bromomethyl)propane-1,3-diol
Following is the structure of 2,2-Bis(bromomethyl)propane-1,3-diol (CAS NO.3296-90-0):
Empirical Formula: C5H10Br2O2
Molecular Weight: 261.9397 g/mol
EINECS 221-967-7
Molar Refractivity: 43.71 cm3
Molar Volume: 132.4 cm3
Density: 1.977 g/cm3
Flash Point: 178.1 °C
Melting point: 112-114 °C
Index of Refraction: 1.573
Surface Tension: 56.9 dyne/cm
Enthalpy of Vaporization: 71.49 kJ/mol
Boiling Point: 370.9 °C at 760 mmHg
Vapour Pressure: 5.16E-07 mmHg at 25 °C
Product Categories of 2,2-Bis(bromomethyl)propane-1,3-diol (CAS NO.3296-90-0): Pharmaceutical Intermediates; Organics; Alcohols; Monomers; Polymer Science
Water Solubility of 2,2-Bis(bromomethyl)propane-1,3-diol (CAS NO.3296-90-0): 3.80E+04 mg/L at 25 °C
Appearance of 2,2-Bis(bromomethyl)propane-1,3-diol (CAS NO.3296-90-0): Off-white powder
Canonical SMILES: C(C(CO)(CBr)CBr)O
InChI: InChI=1S/C5H10Br2O2/c6-1-5(2-7,3-8)4-9/h8-9H,1-4H2
InChIKey: CHUGKEQJSLOLHL-UHFFFAOYSA-N
2,2-Bis(bromomethyl)propane-1,3-diol (CAS NO.3296-90-0) can be used as flame retardant for epoxy, polyester, & urethane foams, chemical intermediate for pentaerythritol ethers, chemical intermediate for derivatives.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 1200mg/kg (1200mg/kg) | National Technical Information Service. Vol. OTS0524337, | |
rat | LD50 | oral | 1880mg/kg (1880mg/kg) | National Technical Information Service. Vol. OTS0524337, |
Hazard Codes: T,Xn
Risk Statements: 45-36/37/38-40-22
R45:May cause cancer.
R36/37/38:Irritating to eyes, respiratory system and skin.
R40:Limited evidence of a carcinogenic effect.
R22:Harmful if swallowed.
Safety Statements: 53-23-26-36/37/39-45-36/37
S53:Avoid exposure - obtain special instructions before use.
S23:Do not breathe vapour.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S36/37:Wear suitable protective clothing and gloves.
RIDADR: 2811
WGK Germany: 3
RTECS: TY3195500
2,2-Bis(bromomethyl)propane-1,3-diol , its cas register number is 3296-90-0. It also can be called 1,3-Dibromo-2,2-dimethylolpropane ; 1,3-Propanediol, 2,2-bis(2-bromomethyl)- ; 1,3-Propanediol, 2,2-bis(bromomethyl)- ; 2,2-Bis(2-bromomethyl)-1,3-propanediol ; 2,2-Bis(bromomethyl)-1,3-propanediol ; 2,2-Dibromomethyl-1,3-propanediol ; Dibromoneopentyl glycol ; Dibromopentaerythritol ; Pentaerythritol dibromide ; and Pentaerythritol dibromohydrin . Its classification code are Mutation data; Reproductive Effect and Tumor data.
2,2-Bis(bromomethyl)propane-1,3-diol (CAS NO.43296-90-0) should be kept in a cool, dry, dark location in a tightly sealed container or cylinder, or be kept away from incompatible materials, ignition sources and untrained individuals. Also its containers/cylinders should away from physical damage.