4-Chloro-2-fluorobenzenethiol

Base Information

• Chemical Name: 4-Chloro-2-fluorobenzenethiol
• CAS No.: 73129-12-1
• Molecular Formula: C₆H₄ClFS
• Molecular Weight: 162.615
• European Community (EC) Number: 890-967-2

Synonyms:4-Chloro-2-fluorobenzenethiol;73129-12-1;4-Chloro-2-fluorobenzene-1-thiol;4-Chloro-2-fluorothiophenol;SCHEMBL5774991;MFCD12026159;AKOS005216806;CS-0257545;FT-0704011;EN300-673746

Chemical Property of 4-Chloro-2-fluorobenzenethiol

Chemical Property:

• 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:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)F)S

Technology Process of 4-Chloro-2-fluorobenzenethiol

There total 2 articles about 4-Chloro-2-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-2-fluorobenzoic acid (446-30-0) → 4-chloro-2-fluorothiophenol (73129-12-1)

Guidance literature:

Multi-step reaction with 2 steps

1: NaN₃, H₂SO₄

2: (i) NaNO₂, aq. H₂SO₄, (ii) EtOCS₂K, Na₂B₄O₇, (iii) aq. KOH

With sodium azide; sulfuric acid;

DOI:10.1135/cccc19792139

Reference yield:

2-fluoro-4-chloroaniline (57946-56-2) → 4-chloro-2-fluorothiophenol (73129-12-1)

Guidance literature:

Multistep reaction; (i) NaNO₂, aq. H₂SO₄, (ii) EtOCS₂K, Na₂B₄O₇, (iii) aq. KOH;

DOI:10.1135/cccc19792139

Reference yield: 45.0%

4-chloro-2-fluorothiophenol (73129-12-1) + 2-chloro-benzaldehyde (89-98-5) → 2,7-dichloro-thianthrene (60420-80-6) + 2-(4-chloro-2-fluorophenylthio)benzaldehyde (96122-55-3)

Guidance literature:

With sodium hydroxide; In N,N,N,N,N,N-hexamethylphosphoric triamide; at 100 ℃; for 5.5h;

DOI:10.1135/cccc19842531

upstream raw materials:

2-fluoro-4-chloroaniline

4-chloro-2-fluorobenzoic acid

Downstream raw materials:

2,7-dichloro-thianthrene

2-(4-chloro-2-fluorophenylthio)benzaldehyde

[2-(4-Chloro-2-fluoro-phenylsulfanyl)-phenyl]-acetic acid

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