2-Chloro-6-methylthiophenol

Base Information

• Chemical Name: 2-Chloro-6-methylthiophenol
• CAS No.: 18858-05-4
• Molecular Formula: C7H7 Cl S
• Molecular Weight: 158.652
• Hs Code.: 2930909090
• European Community (EC) Number: 633-703-1
• DSSTox Substance ID: DTXSID30399651
• Nikkaji Number: J307.719E
• Wikidata: Q82202321
• Mol file: 18858-05-4.mol

Synonyms:2-Chloro-6-methylthiophenol;18858-05-4;2-chloro-6-methylbenzenethiol;Benzenethiol, 2-chloro-6-methyl-;2-chloro-6-methylbenzene-1-thiol;methyl thiyl chlorobenzene;2-chloro-6-methyl-thiophenol;SCHEMBL283996;DTXSID30399651;WNRLJMYSWRBJIG-UHFFFAOYSA-N;GEO-00733;MFCD00041422;AKOS005257672;AS-61161;CS-0207233;FT-0611886;EN300-673756

Chemical Property of 2-Chloro-6-methylthiophenol

Chemical Property:

• Vapor Pressure: 0.102mmHg at 25°C
• Refractive Index: 1.5950
• Boiling Point: 229.9°Cat760mmHg
• Flash Point: 89.8°C
• PSA: 38.80000
• Density: 1.217g/cm³
• LogP: 2.93710
• Sensitive.: Air Sensitive
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 157.9956991
• Heavy Atom Count: 9
• Complexity: 94.9

Purity/Quality:

98%Min ^*data from raw suppliers

2-CHLORO-6-METHYLTHIOPHENOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/38:Irritating to eyes and skin.
• Hazard Codes: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/38:Irritating to eyes and skin.
• Statements: 20/21/22-36/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chloro-6-methylthiophenol

There total 1 articles about 2-Chloro-6-methylthiophenol 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:

2-chloro-6-methylaniline (87-63-8) → 2-chloro-6-methylbenzenethiol (18858-05-4)

Guidance literature:

Multistep reaction; (i) NaNO₂, aq. HCl, (ii) aq. EtOCS₂K;

Reference yield: 86.4%

4-(7-bromo-isoquinoline-1-yl)-piperazine-1-carboxylic acid, tert-butyl ester (636998-09-9) + 2-chloro-6-methylbenzenethiol (18858-05-4) → 4-[7-(2-chloro-6-methyl-phenylsulfanyl)-isoquinolin-1-yl]-piperazine-1-carboxylic acid, tert-butyl ester (636998-11-3)

Guidance literature:

With sodium t-butanolate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In butan-1-ol; at 110 ℃; for 3h;

Reference yield: 85.0%

5-chloro-1-methyl-4-nitroimidazole (4897-25-0) + 2-chloro-6-methylbenzenethiol (18858-05-4) → 1-methyl-4-nitro-5-imidazolyl 2-chloro-6-methylphenyl sulfide (135216-93-2)

Guidance literature:

In ethanol; at 50 ℃; for 0.833333h;

DOI:10.1002/jps.2600791003

upstream raw materials:

2-chloro-6-methylaniline

Downstream raw materials:

[2,5-Dichloro-4-(2-chloro-6-methyl-phenylsulfanylthiocarbonylamino)-phenyl]-dithiocarbamic acid 2-chloro-6-methyl-phenyl ester

1-methyl-4-nitro-5-imidazolyl 2-chloro-6-methylphenyl sulfide

2-chloro-6-methylphenyl 1-neopentyl-2-tert-butyl-4-nitro-5-imidazolyl sulfide

1-methyl-4-nitro-5-imidazolyl 2-chloro-6-methylphenyl sulfone

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