[(4-Chloro-2,5-dimethylphenyl)thio]acetic acid

Base Information

• Chemical Name: [(4-Chloro-2,5-dimethylphenyl)thio]acetic acid
• CAS No.: 93-77-6
• Molecular Formula: C10H11 Cl O2 S
• Molecular Weight: 230.715
• Hs Code.: 2930909090
• European Community (EC) Number: 202-274-9
• DSSTox Substance ID: DTXSID9059090
• Nikkaji Number: J182.096F
• Wikidata: Q81988663
• Mol file: 93-77-6.mol

Synonyms:93-77-6;[(4-Chloro-2,5-dimethylphenyl)thio]acetic acid;2-((4-Chloro-2,5-dimethylphenyl)thio)acetic acid;2-(4-chloro-2,5-dimethylphenyl)sulfanylacetic acid;EINECS 202-274-9;Acetic acid, [(4-chloro-2,5-dimethylphenyl)thio]-;((4-Chloro-2,5-dimethylphenyl)thio)acetic acid;Acetic acid, ((4-chloro-2,5-dimethylphenyl)thio)-;Acetic acid, 2-((4-chloro-2,5-dimethylphenyl)thio)-;[(4-chloro-2,5-dimethylphenyl)sulfanyl]acetic acid;Acetic acid, 2-[(4-chloro-2,5-dimethylphenyl)thio]-;2-[(4-chloro-2,5-dimethylphenyl)sulfanyl]acetic acid;SCHEMBL9167442;2-(4-CHLORO-2,5-DIMETHYLPHENYLTHIO)ACETIC ACID;DTXSID9059090;MFCD00027386;AKOS016009500;TS-03285;(4-chloro-2,5-dimethylphenylthio)aceti acid;CS-0364113;FT-0608599;[(4-chlor-2,5-dimethylphenyl)thio]eddikesyre;[(4-chloro-2,5-dimethylphenyl)thio]aceticacid;SR-01000408153;SR-01000408153-1;ACETIC ACID,2-[(4-CHLORO-2,5-DIMETHYLPHENYL)THIO]-;(4,4-Di-t-butyl-2,2-bipyridine)bis[3,5-difluoro-2-[5-trifluoromethyl-2-pyridinyl-kN)phenyl-kC]iridium(III) hexafluorophosphate, 99%

Chemical Property of [(4-Chloro-2,5-dimethylphenyl)thio]acetic acid

Chemical Property:

• Vapor Pressure: 1.15E-05mmHg at 25°C
• Boiling Point: 355.3°C at 760 mmHg
• Flash Point: 168.7°C
• PSA: 62.60000
• Density: 1.31g/cm³
• LogP: 3.13350
• Storage Temp.: 2-8°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 230.0168285
• Heavy Atom Count: 14
• Complexity: 210

Purity/Quality:

99% ^*data from raw suppliers

2-(4-CHLORO-2,5-DIMETHYLPHENYLTHIO)ACETIC ACID Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1Cl)C)SCC(=O)O

Technology Process of [(4-Chloro-2,5-dimethylphenyl)thio]acetic acid

There total 12 articles about [(4-Chloro-2,5-dimethylphenyl)thio]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:

4-Chloro-2,5-dimethylbenzenethiol (59962-29-7) → (4-chloro-2,5-dimethyl-phenylsulfanyl)-acetic acid (93-77-6)

Guidance literature:

With hydrogenchloride; sodium hydroxide; chloroacetic acid;

Reference yield:

(2,5-dimethyl-phenylsulfanyl)-acetic acid (15310-87-9) → (4-chloro-2,5-dimethyl-phenylsulfanyl)-acetic acid (93-77-6)

Guidance literature:

With sulfuryl dichloride; antimonypentachloride; chlorobenzene; at 30 - 60 ℃;

Reference yield:

4-Chloro-2,5-dimethylbenzenethiol (59962-29-7) + sodium monochloroacetic acid (3926-62-3) → (4-chloro-2,5-dimethyl-phenylsulfanyl)-acetic acid (93-77-6)

Guidance literature:

With sodium hydroxide; at 60 ℃;

upstream raw materials:

2,5-Dimethylaniline

ammonium thiocyanate

(2,5-dimethyl-phenylsulfanyl)-acetic acid

4-Chloro-2,5-dimethylbenzenethiol