2-(2-Chloro-4-fluorophenylthio)acetic acid

Base Information

• Chemical Name: 2-(2-Chloro-4-fluorophenylthio)acetic acid
• CAS No.: 175135-76-9
• Molecular Formula: C₈H₆ClFO₂S
• Molecular Weight: 220.652
• Hs Code.: 2930909899
• DSSTox Substance ID: DTXSID40384210
• Wikidata: Q82176180
• Mol file: 175135-76-9.mol

Synonyms:175135-76-9;2-(2-CHLORO-4-FLUOROPHENYLTHIO)ACETIC ACID;2-(2-chloro-4-fluorophenyl)sulfanylacetic acid;2-[(2-chloro-4-fluorophenyl)sulfanyl]acetic acid;Maybridge3_000536;SCHEMBL7819980;DTXSID40384210;HMS1432I08;CCG-46511;MFCD00052113;AKOS016028502;BH-0411;IDI1_011923;2-((2-Chloro-4-fluorophenyl)thio)aceticacid;2-((2-Chloro-4-fluorophenyl)thio)acetic acid;2-(2-CHLORO-4-FLUOROPHENYLTHIO)ACETICACID;SR-01000636202-1

Chemical Property of 2-(2-Chloro-4-fluorophenylthio)acetic acid

Chemical Property:

• Melting Point: 195-197°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 219.9761065
• Heavy Atom Count: 13
• Complexity: 191

Purity/Quality:

98% ^*data from raw suppliers

2-[(2-Chloro-4-fluorophenyl)sulfanyl]acetic acid ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)Cl)SCC(=O)O

Technology Process of 2-(2-Chloro-4-fluorophenylthio)acetic acid

There total 2 articles about 2-(2-Chloro-4-fluorophenylthio)acetic acid 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:

chloroacetic acid (79-11-8) + 2-chloro-4-fluorobenzenethiol (175277-99-3) → C8H6ClFO2S (175135-76-9)

Guidance literature:

With sodium hydroxide; at 50 ℃;

DOI:10.1016/j.ejmech.2020.112074

Reference yield:

→ C8H6ClFO2S (175135-76-9)

Guidance literature:

With sodium hydroxide; In water; at 50 ℃;

upstream raw materials:

chloroacetic acid

2-chloro-4-fluorobenzenethiol