(3-Chlorophenyl)methanethiol

Base Information

Chemical Name:(3-Chlorophenyl)methanethiol
CAS No.:25697-57-8
Molecular Formula:C7H7 Cl S
Molecular Weight:158.652
Hs Code.:
DSSTox Substance ID:DTXSID901309941
Nikkaji Number:J620.970J
Mol file:25697-57-8.mol

Synonyms:(3-chlorophenyl)methanethiol;25697-57-8;3-Chlorobenzyl mercaptan;Benzenemethanethiol, 3-chloro-;m-chlorobenzylmercaptan;3-Chlorobenzenemethanethiol;3-chloro-benzenemethanethiol;SCHEMBL1145832;KDLSTBYZKATUIM-UHFFFAOYSA-N;DTXSID901309941;GEO-00766;MFCD00068526;AKOS000169597;AM100584;BS-27831;EN300-55076

Suppliers and Price of (3-Chlorophenyl)methanethiol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Medical Isotopes, Inc.
(3-Chlorophenyl)methanethiol 97%
1 g
$ 710.00

Chemenu
(3-chlorophenyl)methanethiol 95%
1g
$ 435.00

American Custom Chemicals Corporation
(3-CHLOROPHENYL)METHANETHIOL 95.00%
5G
$ 1399.02

American Custom Chemicals Corporation
(3-CHLOROPHENYL)METHANETHIOL 95.00%
2.5G
$ 1363.65

American Custom Chemicals Corporation
(3-CHLOROPHENYL)METHANETHIOL 95.00%
1G
$ 809.45

Total 5 raw suppliers

Chemical Property of (3-Chlorophenyl)methanethiol

Chemical Property:

Vapor Pressure:0.19mmHg at 25°C
Refractive Index:1.587
Boiling Point:217.9°C at 760 mmHg
Flash Point:87.6°C
PSA：38.80000
Density:1.2g/cm³
LogP:2.76980
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:157.9956991
Heavy Atom Count:9
Complexity:85

Purity/Quality:

97% ^*data from raw suppliers

(3-Chlorophenyl)methanethiol 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s): R36/37/38:;
Hazard Codes: Xi:Irritant;
Statements: R36/37/38:;
Safety Statements: S26:; S36:;

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC(=C1)Cl)CS

Technology Process of (3-Chlorophenyl)methanethiol

There total 8 articles about (3-Chlorophenyl)methanethiol 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: 81.0%

: 64215-09-4
m-chlorobenzyl thiocyanate

: 25697-57-8
m-chlorobenzyl mercaptan

Guidance literature:: With tetraphosphorus decasulfide; In toluene; for 3h; Reflux;
DOI:10.3762/bjoc.13.117

Reference yield:

: 1-Chloro-3-octylsulfanylmethyl-benzene

: 822-27-5
dioctyl disulfide

: 111-88-6
Octanethiol

: 108-41-8
1-chloro-3-methylbenzene

: 25697-57-8
m-chlorobenzyl mercaptan

: 19829-55-1
1,2-bis(3-chlorophenyl)ethane

: 1-chloro-3-nonyl benzene

Guidance literature:: With hydrogen; In acetone; at -78 ℃; under 3.5 Torr; Mechanism; Product distribution; other alkyl substituted-benzyl sulfides and alkyl sulfides, competition with n-octyl benzyl sulfide, reaction rate relative to n-octyl benzyl sulfide, microwave generation of H from H₂, reaction time 5-10 min;
DOI:10.1021/jo9615615

Reference yield:

: 169558-97-8
3-chlorobenzyl carbamimidothioate hydrobromide

: 25697-57-8
m-chlorobenzyl mercaptan

Guidance literature:: 3-chlorobenzyl carbamimidothioate hydrobromide; With sodium hydroxide; In water; at 120 ℃; for 2h;

With sulfuric acid; In water; at 20 ℃;
DOI:10.1016/j.bmc.2012.10.005