4-Chloro-3-fluorobenzenethiol

Base Information

• Chemical Name: 4-Chloro-3-fluorobenzenethiol
• CAS No.: 60811-22-5
• Molecular Formula: C6H4ClFS
• Molecular Weight: 162.61200
• European Community (EC) Number: 841-925-7
• DSSTox Substance ID: DTXSID50483465
• Wikidata: Q82320818

Synonyms:60811-22-5;4-chloro-3-fluorobenzene-1-thiol;4-Chloro-3-fluorobenzenethiol;4-Chloro-3-fluorothiophenol;SCHEMBL2090559;DTXSID50483465;AKOS005216707;CS-0243183;FT-0732234;EN300-260384

Chemical Property of 4-Chloro-3-fluorobenzenethiol

Chemical Property:

• PSA: 38.80000
• LogP: 2.76780
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 161.9706272
• Heavy Atom Count: 9
• Complexity: 99.1

Purity/Quality:

98% ^*data from raw suppliers

4-CHLORO-3-FLUOROBENZENETHIOL ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1S)F)Cl

Technology Process of 4-Chloro-3-fluorobenzenethiol

There total 1 articles about 4-Chloro-3-fluorobenzenethiol 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:

→ 4-chloro-3-fluorothiophenol (60811-22-5)

Guidance literature:

1) Grignard-Verb.v. XXIb, Schwefel 2) Zers. in HCl/Eis;

Reference yield:

2-Iodobenzoic acid (88-67-5) + 4-chloro-3-fluorothiophenol (60811-22-5) + 2-chloro-5-bromofluorobenzene (60811-18-9) → 2-(3-fluoro-4-chlorophenylthio)benzoic acid (60810-59-5)

Guidance literature:

With hydrogenchloride; potassium hydroxide; hydrogen sulfide; copper; magnesium; In sodium hydroxide; water; benzene;

Reference yield:

4-chloro-3-fluorothiophenol (60811-22-5) + (4-fluoro-2-iodophenyl)acetic acid (70931-61-2) → <2-(4-chloro-3-fluorophenylthio)-4-fluorophenyl>acetic acid (61150-62-7)

Guidance literature:

With potassium hydroxide; copper; In water; for 12h; Heating;

DOI:10.1135/cccc19810141

Downstream raw materials:

<2-(4-chloro-3-fluorophenylthio)-4-fluorophenyl>acetic acid

S-(4-Chloro-3-fluorophenyl) 4-Chloro-3-fluorophenylthioacetothiohydroxamate

2-(4-Chlor-3-fluorphenylthio)-4-methoxybenzoesaeure

2-(3-fluoro-4-chlorophenylthio)benzoic acid

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