3-Chlorobenzyl chloride

Base Information

• Chemical Name: 3-Chlorobenzyl chloride
• CAS No.: 620-20-2
• Molecular Formula: C7H6Cl2
• Molecular Weight: 161.031
• Hs Code.: 29039990
• European Community (EC) Number: 210-629-4
• NSC Number: 76577
• UNII: QXH4Y96Y2L
• DSSTox Substance ID: DTXSID2057786
• Nikkaji Number: J7.047E
• Wikidata: Q72517403
• ChEMBL ID: CHEMBL3561692
• Mol file: 620-20-2.mol

Synonyms:3-Chlorobenzyl chloride;620-20-2;1-Chloro-3-(chloromethyl)benzene;alpha,3-Dichlorotoluene;3-Chlorobenzylchloride;Benzene, 1-chloro-3-(chloromethyl)-;M-CHLOROBENZYL CHLORIDE;m-Chlorbenzyl chloride;1-Chloro-3-chloromethyl-benzene;m,alpha-Dichlorotoluene;Toluene, m,.alpha.-dichloro-;m,.alpha.-Dichlorotoluene;Toluene, m,alpha-dichloro-;QXH4Y96Y2L;130468-19-8;DTXSID2057786;EINECS 210-629-4;NSC 76577;NSC-76577;Benzene, 1-chloro-3-(chloromethyl)-, radical ion(1-) (9CI);m-chlorobenzylchloride;3chlorobenzyl chloride;m-chlorobenzyl-chloride;meta-chlorobenzylchloride;3-chloro benzyl chloride;3-chloro-benzyl chloride;.alpha.,m-Dichlorotoluene;UNII-QXH4Y96Y2L;Chloro-3-chloromethyl-benzene;SCHEMBL195102;1-Chloro-3-chloromethylbenzene;3-Chlorobenzyl chloride, 98%;CHEMBL3561692;DTXCID3031575;1-Chloro-3-(chloromethyl)-benzene;NSC76577;STR00183;Tox21_113840;benzene,1-chloro-3-(chloromethyl)-;MFCD00000905;STL183089;AKOS000119586;NCGC00253721-01;AM101038;CAS-620-20-2;FT-0615476;EN300-18205;A833540;SR-01000944705;SR-01000944705-1;W-105057;F2190-0271

Chemical Property of 3-Chlorobenzyl chloride

Chemical Property:

• Appearance/Colour: Colorless to light yellow liquid
• Vapor Pressure: 0.236mmHg at 25°C
• Melting Point: 69-71oC
• Refractive Index: 1.555 - 1.556
• Boiling Point: 213.7 °C at 760 mmHg
• Flash Point: 98.9 °C
• PSA: 0.00000
• Density: 1.247 g/cm³
• LogP: 3.07880
• Sensitive.: Lachrymatory
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 159.9846556
• Heavy Atom Count: 9
• Complexity: 83

Purity/Quality:

99% ^*data from raw suppliers

3-Chlorobenzyl Chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C, N, Xn
• Hazard Codes: C,N,Xn
• Statements: 34-51/53-43-36-20/21/22
• Safety Statements: 26-36/37/39-45-61-14C

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Cl)CCl
• Uses: 3-Chlorobenzyl chloride has been used in the reaction of 3-methoxybenzyl chloride and ethyl 4-bromobenzoate in pure water, using zinc dust and a Pd catalyst.

Technology Process of 3-Chlorobenzyl chloride

There total 14 articles about 3-Chlorobenzyl chloride 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: 91.0%

1-chloro-3-methylbenzene (108-41-8) → 1-Chloro-3-chloromethyl-benzene (620-20-2,130468-19-8)

Guidance literature:

With hydrogenchloride; potassium chloride; tetrabutyl-ammonium chloride; In water; at 20 ℃; Irradiation; Green chemistry;

DOI:10.1039/c8gc02628a

Reference yield: 31.0%

m-chlorobenzyl alcohol (873-63-2) → 1-Chloro-3-chloromethyl-benzene (620-20-2,130468-19-8)

Guidance literature:

With dmap; triethylamine; p-toluenesulfonyl chloride; In dichloromethane; at 0 - 15 ℃; for 12.5h;

DOI:10.3390/molecules16075665

Reference yield:

m-chlorobenzyl alcohol (873-63-2) → bis(3-chlorobenzyl) ether + 1-Chloro-3-chloromethyl-benzene (620-20-2,130468-19-8)

Guidance literature:

With thionyl chloride; benzene;

DOI:10.1021/ja01631a076

upstream raw materials:

1-chloro-3-methylbenzene

m-chlorobenzyl alcohol

tetrachloromethane

(Z)-hepta-1,2,4-trien-6-yne

Downstream raw materials:

4-(3-chloro-benzyl)-2-methyl-phenol

2-(3-chloro-benzyl)-6-methyl-phenol

2-(3-chloro-benzyl)-4-methyl-phenol

3-chlorobenzyl phenyl ether