1-Chloro-2,4,5-trimethylbenzene

Base Information

• Chemical Name: 1-Chloro-2,4,5-trimethylbenzene
• CAS No.: 31053-96-0
• Molecular Formula: C10H13Cl
• Molecular Weight: 154.639
• Hs Code.: 2903999090
• European Community (EC) Number: 661-153-2
• NSC Number: 60053
• DSSTox Substance ID: DTXSID10953159
• Wikidata: Q82931941
• Mol file: 31053-96-0.mol

Synonyms:1-chloro-2,4,5-trimethylbenzene;31053-96-0;Benzene, 5-chloro-1,2,4-trimethyl;NSC60053;SCHEMBL2219302;DTXSID10953159;LJQDRBHJSRPHEP-UHFFFAOYSA-N;1,2,4-trimethyl-5-chlorobenzene;NSC-60053;AKOS024340957

Chemical Property of 1-Chloro-2,4,5-trimethylbenzene

Chemical Property:

• Vapor Pressure: 0.234mmHg at 25°C
• Melting Point: 69.5-71.0 °C
• Refractive Index: 1.519
• Boiling Point: 213.9 °C at 760 mmHg
• Flash Point: 78.4 °C
• PSA: 0.00000
• Density: 1.029 g/cm³
• LogP: 3.26520
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 154.0549280
• Heavy Atom Count: 10
• Complexity: 111

Purity/Quality:

99% ^*data from raw suppliers

1-CHLORO-2,4,5-TRIMETHYLBENZENE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1C)Cl)C

Technology Process of 1-Chloro-2,4,5-trimethylbenzene

There total 15 articles about 1-Chloro-2,4,5-trimethylbenzene 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: 91.2%

1,2,4-Trimethylbenzene (95-63-6) → 5-chloro-1,2,4-trimethylbenzene (31053-96-0)

Guidance literature:

With hydrogenchloride; sodium chloride; sodium hydroxide; In water; acetonitrile; Solvent; Reagent/catalyst;

Reference yield: 57.0%

1-(2,4,5-trimethylphenyl)-1-phenylethane (53243-57-5) → 5-chloro-1,2,4-trimethylbenzene (31053-96-0) + 1-(2,4,5-trimethyl-3,6-dichlorophenyl)-1-phenylethane (53243-55-3) + 1-(2,4,5-trimethyl-3-chlorophenyl)-1-phenylethane (108201-78-1) + (1-chloroethyl)benzene (672-65-1)

Guidance literature:

With sulfuryl dichloride; silica gel; In tetrachloromethane; at 25 ℃; for 12h;

Reference yield: 4.5%

2,4,5-trimethyldiphenylmethane (34835-71-7) → 5-chloro-1,2,4-trimethylbenzene (31053-96-0) + 2,4,5-trimethyl-3,6-dichlorodiphenylmethane (52957-69-4) + 2,3,5-trimethyl-6-chlorodiphenylmethane (108201-80-5) + 2,3,6-trimethyl-4,5-dichlorodiphenylmethane (108201-79-2)

Guidance literature:

With chlorine; iodine; In Trichloroethylene; at 0 ℃; for 0.0833333h;

upstream raw materials:

1,2,4-Trimethylbenzene

2,4,5-trimethylaniline

3-Chloro-2,5,6-trimethylbenzoic acid

6-Chlor-2,3,5-trimethyl-benzoesaeure

Downstream raw materials:

2,3,5-trimethyl-6-chlorodiphenylmethane

2,3,6-trimethyl-5-chlorodiphenylmethane

2,3,5-trimethyl-4,6-dichlorodiphenylmethane

5-chlorobenzene-1,2,4-tricarboxylic acid

Refernces

• 1、 Khasanova,Vozhdaeva,Kabal'nova,Kantor. "Chlorination and oxidation products formed from 1,2,4-trimethylbenzene in aqueous solution under the action of chlorine dioxide". . p. 1105 - 1110. Retrieved 2008/04/05.
• 2、 Borodovitsyn, V. V.,Pozdnyakovich, Yu. V.,Shein, S. M.. "ELECTROPHILIC CHLORINATION OF 2,4,5-TRIMETHYLDIPHENYLMETHANE AND 1-(2,4,5-TRIMETHYLPHENYL)-1-PHENYLETHANE". . p. 1741 - 1746. Retrieved 2007/10/02.