3-Fluoro-5-(trifluoromethyl)phenylacetic acid

Base Information

• Chemical Name: 3-Fluoro-5-(trifluoromethyl)phenylacetic acid
• CAS No.: 195447-79-1
• Molecular Formula: C9H6F4O2
• Molecular Weight: 222.139
• Hs Code.: 2916399090
• European Community (EC) Number: 671-112-0
• DSSTox Substance ID: DTXSID80374670
• Wikidata: Q72477274
• Mol file: 195447-79-1.mol

Synonyms:3-Fluoro-5-(trifluoromethyl)phenylacetic acid;195447-79-1;2-(3-Fluoro-5-(trifluoromethyl)phenyl)acetic acid;2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic Acid;MFCD00061188;3-fluoro-5-(trifluoromethyl)-phenylacetic acid;Benzeneacetic acid, 3-fluoro-5-(trifluoromethyl)-;3-FLUORO-5-TRIFLUOROMETHYLPHENYLACETIC ACID;Fluorotrifluoromethylphenylaceticacid6;3-Fluoro-5-(trifluoromethyl)phenylaceticAcid;[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid;SCHEMBL153296;DTXSID80374670;AKOS015853069;AB02406;AM62260;CS-W013120;3-Fluoro-5-trifluoromethylphenylaceticacid;AS-18927;SY021831;3-fluoro-5-trifluoromethyl-phenylacetic acid;FT-0656154;EN300-1933341;3-fluoro-5-(trifluoromethyl)phenylacetic acid 98;A813808;Benzeneacetic acid,3-fluoro-5-(trifluoromethyl)-;[3-Fluoro-5-(trifluoromethyl)phenyl]acetic acid, AldrichCPR

Chemical Property of 3-Fluoro-5-(trifluoromethyl)phenylacetic acid

Chemical Property:

• Vapor Pressure: 0.0187mmHg at 25°C
• Melting Point: 109-112℃
• Refractive Index: 1.459
• Boiling Point: 242.1 °C at 760 mmHg
• Flash Point: 100.2 °C
• PSA: 37.30000
• Density: 1.436 g/cm³
• LogP: 2.47160
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO, Methanol
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 222.03039208
• Heavy Atom Count: 15
• Complexity: 239

Purity/Quality:

99% ^*data from raw suppliers

3-Fluoro-5-(trifluoromethyl)phenylaceticAcid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1C(F)(F)F)F)CC(=O)O
• Uses: 3-Fluoro-5-(trifluoromethyl)phenylacetic Acid used as a synthetic intermediate in the preparation of kinase inhibitors and agonists.