(2-Chlorophenyl)methanethiol

Base Information

• Chemical Name: (2-Chlorophenyl)methanethiol
• CAS No.: 39718-00-8
• Molecular Formula: C7H7ClS
• Molecular Weight: 158.652
• Hs Code.: 29309099
• European Community (EC) Number: 254-602-5
• Nikkaji Number: J236.253H
• ChEMBL ID: CHEMBL1224556
• Mol file: 39718-00-8.mol

Synonyms:39718-00-8;2-Chlorobenzenemethanethiol;(2-Chlorophenyl)methanethiol;2-Chlorobenzyl mercaptan;2-Chlorobenzylmercaptan;2-Chloro benzyl mercaptan;Benzenemethanethiol, 2-chloro-;o-Chlorotoluene-alpha-thiol;CHEMBL1224556;MFCD00004868;o-chlorobenzylmercaptan;2-chlorophenylmethanethiol;2-chlorophenyl-methanethiol;D0P3XW;SCHEMBL646102;(2-Chlorophenyl)methanethiol #;2-Chlorobenzenemethanethiol, 98%;BDBM50325565;AKOS000163896;AT13680;AC-16423;AM100766;AS-59084;C2068;FT-0611922;FT-0611927;EN300-124028;Z55948221

Chemical Property of (2-Chlorophenyl)methanethiol

Chemical Property:

• Appearance/Colour: Colorless to light yellow liquid
• Refractive Index: 1.5910
• Boiling Point: 233.2 °C at 760 mmHg
• Flash Point: 91.4 °C
• PSA: 38.80000
• Density: 1.204 g/cm³
• LogP: 2.76980
• Sensitive.: Air Sensitive
• XLogP3: 2.6
• 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:

98%,99%, ^*data from raw suppliers

2-Chlorobenzenemethanethiol 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CS)Cl
• Uses: 2-Chlorobenzenemethanethiol (2-Chlorobenzyl mercaptan) has been used to preapare monolayer by chemisorption from solution on a gold film vapor deposited on optically polished glass plates.

Technology Process of (2-Chlorophenyl)methanethiol

There total 10 articles about (2-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: 79.0%

2-chlorobenzylthiocyanate (2082-66-8) → 2-chlorobenzylthiol (39718-00-8)

Guidance literature:

With tetraphosphorus decasulfide; In toluene; for 3h; Reflux;

DOI:10.3762/bjoc.13.117

Reference yield: 72.0%

Carbamic acid 2-chloro-benzyl ester (13571-63-6) → 2-chlorobenzylthiol (39718-00-8)

Guidance literature:

With tetraphosphorus decasulfide; In toluene; for 6h; Reflux;

DOI:10.1055/s-0036-1589026

Reference yield: 64.0%

1-chloro-2-(chloromethyl)benzene (611-19-8) → 2-chlorobenzylthiol (39718-00-8)

Guidance literature:

1-chloro-2-(chloromethyl)benzene; With thiourea; In ethanol; for 4h; Reflux;

With sodium hydroxide; In ethanol; water; for 2h; Reflux; Inert atmosphere;

upstream raw materials:

bis(2-chlorobenzyl) sulfide

1-chloro-2-(chloromethyl)benzene

thiourea

2-chlorophenylmethyl carbamimidothioate hydrochloride

Downstream raw materials:

1,2-bis(2-chlorobenzyl)disulfane

5-methyl-oxazolidine-3-carbothioic acid S-(2-chloro-benzyl) ester

1-(2-Chloro-benzyldisulfanyl)-adamantane

6-(2'-chlorobenzylthio)pyridazin-3-amine