Benzene, 3-chloro-1,2,4-trimethyl

Base Information

• Chemical Name: Benzene, 3-chloro-1,2,4-trimethyl
• CAS No.: 41381-35-5
• Molecular Formula: C9H11Cl
• Molecular Weight: 154.639
• DSSTox Substance ID: DTXSID801304336
• Mol file: 41381-35-5.mol

Synonyms:Benzene, 3-chloro-1,2,4-trimethyl;2-chloro-1,3,4-trimethylbenzene;3-chloro-1,2,4-trimethylbenzene;SCHEMBL6441444;DTXSID801304336;41381-35-5

Chemical Property of Benzene, 3-chloro-1,2,4-trimethyl

Chemical Property:

• 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:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C=C1)C)Cl)C

Technology Process of Benzene, 3-chloro-1,2,4-trimethyl

There total 9 articles about Benzene, 3-chloro-1,2,4-trimethyl 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:

1,2,4-Trimethylbenzene (95-63-6) → 5-chloro-1,2,4-trimethylbenzene (31053-96-0) + 3-chloro-1,2,4-trimethylbenzene (41381-35-5) + 2,5-dimethylbenzyl chloride (824-45-3) + 5-chloro-1-chloromethyl-2,4-dimethylbenzene (59606-79-0)

Guidance literature:

With chlorine dioxide; In water; at 20 ℃; for 24h; Further byproducts.;

DOI:10.1134/S107042720707018X

Reference yield:

1-chloro-2,3,4,5-tetramethyl-benzene (26138-77-2) → 3-chloro-1,2,4-trimethylbenzene (41381-35-5)

Guidance literature:

With sulfuric acid; at 25 - 30 ℃; folgend Hydrolyse mit Wasserdampf bei 150grad;

DOI:10.1021/ja01292a001

Reference yield:

1,2,4-Trimethylbenzene (95-63-6) → 5-chloro-1,2,4-trimethylbenzene (31053-96-0) + 3-chloro-1,2,4-trimethylbenzene (41381-35-5)

Guidance literature:

With chloroform; chlorine; at 0 ℃;

DOI:10.1021/ja01292a001

upstream raw materials:

1,2,4-Trimethylbenzene

1-chloro-2,3,4,5-tetramethyl-benzene

chloroform

chlorine

Downstream raw materials:

3-Chlor-6-iodpseudocumol

3-Chlor-5,6-diiod-1,2,4-trimethylbenzol

3-Chlor-5-iod-1,2,4-trimethylbenzol

3-chloro-2,4,5-trimethyl-benzenesulfonic acid