2-Chloro-4-fluorophenylacetic acid

Base Information

• Chemical Name: 2-Chloro-4-fluorophenylacetic acid
• CAS No.: 177985-32-9
• Molecular Formula: C₈H₆ClFO₂
• Molecular Weight: 188.586
• Hs Code.: 2916399090
• European Community (EC) Number: 642-574-0
• DSSTox Substance ID: DTXSID90369350
• Wikidata: Q72451084
• Mol file: 177985-32-9.mol

Synonyms:2-Chloro-4-fluorophenylacetic acid;177985-32-9;2-(2-chloro-4-fluorophenyl)acetic acid;(2-chloro-4-fluorophenyl)acetic acid;Benzeneacetic acid, 2-chloro-4-fluoro-;MFCD00236028;SCHEMBL1699587;DTXSID90369350;2-Chloro-4-fluorophenylaceticacid;CDUSPKFHAVQVRQ-UHFFFAOYSA-N;2-Chloro-4-fluorobenzeneacetic acid;BBL021906;CL8960;STK894623;AKOS000157663;2-(2-chloro-4-fluorophenyl)aceticacid;AM62255;(2-chloro-4-fluoro-phenyl)-acetic acid;NCGC00337425-01;AC-26166;TS-02659;CS-0020087;FT-0611772;A22040;EN300-112008;AB01330563-02;J-011350;Z285184620

Chemical Property of 2-Chloro-4-fluorophenylacetic acid

Chemical Property:

• Appearance/Colour: white to off-white crystalline powder
• Vapor Pressure: 0.000819mmHg at 25°C
• Melting Point: 101-104 °C
• Boiling Point: 292.798 °C at 760 mmHg
• PKA: 4.02±0.10(Predicted)
• Flash Point: 130.88 °C
• PSA: 37.30000
• Density: 1.418 g/cm³
• LogP: 2.10620
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Slightly soluble in water.
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 188.0040353
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-4-fluorophenylaceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 37/39-26-26 37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)Cl)CC(=O)O
• Uses: 2-Chloro-4-fluorophenylacetic acid is used as a pharmaceutical intermediate.