1-Chloro-3-(dichloromethyl)benzene

Base Information

• Chemical Name: 1-Chloro-3-(dichloromethyl)benzene
• CAS No.: 15145-69-4
• Molecular Formula: C7H5Cl3
• Molecular Weight: 195.476
• Hs Code.: 2903999090
• European Community (EC) Number: 239-206-2
• DSSTox Substance ID: DTXSID70164789
• Nikkaji Number: J91.331F
• Wikidata: Q83033866
• Mol file: 15145-69-4.mol

Synonyms:3-CHLOROBENZAL CHLORIDE;15145-69-4;1-Chloro-3-(dichloromethyl)benzene;EINECS 239-206-2;Benzene, 1-chloro-3-(dichloromethyl)-;alpha,alpha,3-Trichlorotoluene;m-Chlorbenzalchlorid;Benzene,1-chloro-3-(dichloromethyl)-;SCHEMBL5318844;DTXSID70164789;MFCD00082691;AKOS008996623;FT-0637189;A809176

Chemical Property of 1-Chloro-3-(dichloromethyl)benzene

Chemical Property:

• Appearance/Colour: clear colorless to slightly yellow liquid
• Vapor Pressure: 0.0844mmHg at 25°C
• Melting Point: 35.64°C (estimate)
• Refractive Index: 1.565-1.567
• Boiling Point: 233.6 °C at 760 mmHg
• Flash Point: 145.2 °C
• PSA: 0.00000
• Density: 1.384 g/cm³
• LogP: 3.81620
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 193.945683
• Heavy Atom Count: 10
• Complexity: 103

Purity/Quality:

98%min ^*data from raw suppliers

3-CHLOROBENZAL CHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-20/22
• Safety Statements: 45-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Cl)C(Cl)Cl
• Uses: 1-Chloro-2-(dichloromethyl)benzene is a haloaromatic used for treating synthetic linear polyester fibers and film.

Technology Process of 1-Chloro-3-(dichloromethyl)benzene

There total 6 articles about 1-Chloro-3-(dichloromethyl)benzene 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: 76.0%

m-Chlorobenzaldehyde (587-04-2) → 1-dichloromethyl-3-chlorobenzene (15145-69-4)

Guidance literature:

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

DOI:10.1080/00397919908085922

Reference yield:

benzylidene dichloride (98-87-3) + iodine (7553-56-2,12190-71-5,8031-47-8) → 2-chlorobenzal chloride (88-66-4) + 1,2,3-trichloro-4-dichloromethyl-benzene (56961-82-1) + 1-dichloromethyl-3-chlorobenzene (15145-69-4) + (4-chlorophenyl)dichloromethane (13940-94-8)

Guidance literature:

Einleiten von Chlor;

Reference yield:

2-(3-chlorobenzyloxy)tetrahydro-2H-pyran (18483-96-0) → 1-dichloromethyl-3-chlorobenzene (15145-69-4)

Guidance literature:

2-(3-chlorobenzyloxy)tetrahydro-2H-pyran; With trichloroisocyanuric acid; In acetonitrile; Reflux;

With triphenylphosphine; In acetonitrile; Reflux;

DOI:10.1080/10426507.2020.1845680

upstream raw materials:

m-Chlorobenzaldehyde

benzylidene dichloride

iodine

m-chlorobenzyl alcohol

Downstream raw materials:

4,5-dichloro-2-(3-chloro-phenyl)-[1,3]oxazin-6-one

3-chlorobenzotrichloride

Refernces

• 1、 Aghapour, Ghasem,Mohamadian, Samaneh. "One-pot, selective and mild conversion of benzylic alcohols to gem -dichlorides using chlorodiphenylphosphine and 2,3-dichloro-5,6-dicyanobenzoquinone as a new and neutral system". . p. 520 - 527. Retrieved 2015/05/20.
• 2、 Léonel, Eric,Paugam, Jean-Paul,Heintz, Monique,Nédélec, Jean-Yves. "A simple and efficient procedure for the preparation of benzal chlorides and benzal bromides". . p. 4015 - 4024. Retrieved 2007/10/03.