4-Fluoro-3-(trifluoromethyl)phenylacetic acid

Base Information

• Chemical Name: 4-Fluoro-3-(trifluoromethyl)phenylacetic acid
• CAS No.: 220227-47-4
• Molecular Formula: C₉H₆F₄O₂
• Molecular Weight: 222.139
• Hs Code.: 2916399090
• European Community (EC) Number: 623-832-1
• DSSTox Substance ID: DTXSID70372165
• Wikidata: Q72477502
• Mol file: 220227-47-4.mol

Synonyms:4-Fluoro-3-(trifluoromethyl)phenylacetic acid;220227-47-4;2-[4-fluoro-3-(trifluoromethyl)phenyl]acetic Acid;4-Fluoro-3-(trifluoromethyl)phenylaceticacid;2-(4-fluoro-3-(trifluoromethyl)phenyl)acetic acid;MFCD00061190;4-fluoro-3-trifluoromethylphenylacetic acid;4-fluoro-3-(trifluoromethyl)-phenylacetic acid;Benzeneacetic acid, 4-fluoro-3-(trifluoromethyl)-;SCHEMBL308545;DTXSID70372165;CK2065;AKOS005258532;AC-9792;PS-7829;A4729;FT-0659245;(4-fluoro-3-trifluoromethyl-phenyl)acetic acid;(4-fluoro-3-trifluoromethyl-phenyl)-acetic acid;[4-fluoro-3-(trifluoromethyl)phenyl]acetic acid;EN300-1137735;4-Fluoro-3-(trifluoromethyl)phenylacetic acid, 97%;J-014427

Chemical Property of 4-Fluoro-3-(trifluoromethyl)phenylacetic acid

Chemical Property:

• Vapor Pressure: 0.00528mmHg at 25°C
• Melting Point: 51-55 °C(lit.)
• Refractive Index: 1.459
• Boiling Point: 263.121 °C at 760 mmHg
• PKA: 4.11±0.10(Predicted)
• Flash Point: 112.932 °C
• PSA: 37.30000
• Density: 1.437 g/cm³
• LogP: 2.47160
• Storage Temp.: Sealed in dry,Room Temperature
• 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:

98%,99%, ^*data from raw suppliers

4-Fluoro-3-(trifluoromethyl)phenylacetic acid 98% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CC(=O)O)C(F)(F)F)F