1,2,4-Trichlorobenzene

Base Information

• Chemical Name: 1,2,4-Trichlorobenzene
• CAS No.: 120-82-1
• Molecular Formula: C6H3Cl3
• Molecular Weight: 181.449
• Hs Code.: 2903.69 Oral, rat, LD50: 756 mg/kg
• European Community (EC) Number: 204-428-0
• ICSC Number: 1049
• NSC Number: 406697
• UN Number: 2321
• UNII: 05IQ959M1N
• DSSTox Substance ID: DTXSID0021965
• Nikkaji Number: J2.482A
• Wikipedia: 1,2,4-Trichlorobenzene
• Wikidata: Q1876830
• ChEMBL ID: CHEMBL296348
• Mol file: 120-82-1.mol

Synonyms:1,2,4-trichlorobenzene

Chemical Property of 1,2,4-Trichlorobenzene

Chemical Property:

• Appearance/Colour: colorless liquid
• Vapor Pressure: 0.266mmHg at 25°C
• Melting Point: 16 °C(lit.)
• Refractive Index: 1.5717
• Boiling Point: 211.4 °C at 760 mmHg
• Flash Point: 126.7 °C
• PSA: 0.00000
• Density: 1.448 g/cm³
• LogP: 3.64680
• Water Solubility.: INSOLUBLE
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 179.930033
• Heavy Atom Count: 9
• Complexity: 94.3
• Transport DOT Label: Poison

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xn, N, Xi, T, F
• Hazard Codes: Xn:Harmful;;
• Statements: R22:; R38:; R50/53:
• Safety Statements: S23:; S37/39:; S60:; S61:

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Chlorinated Aromatics
• Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)Cl
• Inhalation Risk: A harmful contamination of the air will be reached rather slowly on evaporation of this substance at 20 °C; on spraying or dispersing, however, much faster.
• Effects of Short Term Exposure: The substance is irritating to the eyes, skin and respiratory tract.
• Effects of Long Term Exposure: The substance defats the skin, which may cause dryness or cracking. The substance may have effects on the liver.

Technology Process of 1,2,4-Trichlorobenzene

There total 158 articles about 1,2,4-Trichlorobenzene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 73.0%

1,2,4,5-tetrachlorobenzene (95-94-3) → para-dichlorobenzene (106-46-7,84348-21-0) + chlorobenzene (108-90-7) + 1,2-dichloro-benzene (95-50-1) + 1,3-Dichlorobenzene (541-73-1) + 1,2,4-Trichlorobenzene (120-82-1,63697-18-7) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1)

Guidance literature:

With potassium hydroxide; hydrogen; palladium on activated charcoal; In water; at 50 ℃; for 0.5h; Product distribution; Aliquat 336 and other phase-transfer catalysts, different multiphase systems, different time and solvents;

DOI:10.1021/jo00071a041

Reference yield: 9.0%

1,2,4,5-tetrachlorobenzene (95-94-3) → para-dichlorobenzene (106-46-7,84348-21-0) + 1,2-dichloro-benzene (95-50-1) + 1,3-Dichlorobenzene (541-73-1) + 1,2,4-Trichlorobenzene (120-82-1,63697-18-7)

Guidance literature:

With carbon dioxide; tetrabutylammomium bromide; In N,N-dimethyl-formamide; at -5 - 0 ℃; Further byproducts given; Electrochemical reaction;

DOI:10.1135/cccc20000862

Reference yield:

2,4,6-Trichlorophenol (88-06-2,67471-29-8) → Pentachlorophenol (87-86-5,67471-28-7) + 1,3,5-trichlorobenzene (108-70-3,63697-19-8) + 1,2,4-Trichlorobenzene (120-82-1,63697-18-7) + 1,2,3-trichlorobenzene (87-61-6)

Guidance literature:

With oxygen; fly ash; at 400 ℃; Further byproducts given. Title compound not separated from byproducts; Formation of xenobiotics;

DOI:10.1016/S0045-6535(00)00244-7

upstream raw materials:

pyridine

alpha-hexachlorocyclohexane

quinoline

2,5 dichloroaniline

Downstream raw materials:

1,1'-methylenebis(2,4,5-trichlorobenzene)

1,2,4-trichloro-5-chloromethyl-benzene

2,5-dichloro-benzaldehyde

diheptyldisulfide

Refernces

• 1、 Del Bello, Fabio,Bargelli, Valentina,Cifani, Carlo,Gratteri, Paola,Bazzicalupi, Carla,Diamanti, Eleonora,Giannella, Mario,Mammoli, Valerio,Matucci, Rosanna,Micioni Di Bonaventura, Maria Vittoria,Piergentili, Alessandro,Quaglia, Wilma,Pigini, Maria. "Antagonism/agonism modulation to build novel antihypertensives selectively triggering I1-imidazoline receptor activation". . p. 496 - 501. Retrieved 2015.
• 2、 Nishiyama, Yutaka,Kawabata, Hiroshi,Nishino, Toshiki,Hashimoto, Kouji,Sonoda, Noboru. "Dehalogenation of o-dihalogen substituted arenes and α,α′-dihalogen substituted o-xylenes with lanthanum metal". . p. 6609 - 6614. Retrieved 2003.
• 3、 Liang, Xu,Li, Minzhi,Mack, John,Lobb, Kevin,Zhu, Weihua. "Iron(iii)porphyrin electrocatalyzed enantioselective carbon-chloride bond cleavage of hexachlorocyclohexanes (HCHs): Combined experimental investigation and theoretical calculations". . p. 11470 - 11476. Retrieved 2018/08/28.
• 4、 -. "Dicamba preparation process". Paragraph 0051; 0052; 0053. . Retrieved 2017/04/03.