1-(Dichloromethyl)-3-methylbenzene

Base Information

• Chemical Name: 1-(Dichloromethyl)-3-methylbenzene
• CAS No.: 2719-42-8
• Molecular Formula: C8H8Cl2
• Molecular Weight: 175.058
• DSSTox Substance ID: DTXSID70343097
• Nikkaji Number: J80.550E
• Wikidata: Q82114274
• Mol file: 2719-42-8.mol

Synonyms:1-(Dichloromethyl)-3-methylbenzene;2719-42-8;3-(Dichloromethyl)toluene;m-Xylene, .alpha.,.alpha.-dichloro-;alpha,alpha-Dichloro-m-xylene;Benzene, 1-(dichloromethyl)-3-methyl-;3-Methyl-benzalchlorid;3-Methylbenzal chloride;3-methyl benzal chloride;SCHEMBL2346730;DTXSID70343097;.alpha.,.alpha.-Dichloro-m-xylene;1-(Dichloromethyl)-3-methylbenzene #;AKOS015962380

Chemical Property of 1-(Dichloromethyl)-3-methylbenzene

Chemical Property:

• PSA: 0.00000
• LogP: 3.47120
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 174.0003056
• Heavy Atom Count: 10
• Complexity: 101

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(Dichloromethyl)-3-methylbenzene

There total 3 articles about 1-(Dichloromethyl)-3-methylbenzene 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: 80.0%

m-tolyl aldehyde (620-23-5) → α,α-dichloro-m-xylene (2719-42-8)

Guidance literature:

With tetrachloromethane; nickel; copper; In N,N-dimethyl-formamide; at 60 ℃; for 5h;

DOI:10.1080/00397919908085922

Reference yield:

m-xylene (108-38-3,104809-90-7) → 1-chloromethyl-3-methyl-benzene (620-19-9) + 3-(chloromethyl)benzyl chloride (626-16-4) + m-chloromethylbenzylidene chloride (30220-25-8) + α,α-dichloro-m-xylene (2719-42-8) + α,α,α',α'-Tetrachloro-m-xylene (30430-40-1)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); chlorine; at 70 ℃; for 1.2h; Product distribution; various educt-reagent ratio, various time;

Reference yield:

3-Methylbenzonitrile (620-22-4) → α,α-dichloro-m-xylene (2719-42-8)

Guidance literature:

Multi-step reaction with 2 steps

1: SnCl₂; HCl; diethyl ether

2: PCl₅

With hydrogenchloride; diethyl ether; phosphorus pentachloride; tin(ll) chloride;

DOI:10.1007/BF01518495

upstream raw materials:

m-tolyl aldehyde

m-xylene

3-Methylbenzonitrile

Downstream raw materials:

3-Methylbenzotrichloride

1,2-di-m-tolylethane

1,2-bis(3-methylphenyl)ethylene

m-xylene