4-Fluoro-3-(trifluoromethyl)cinnamic acid

Base Information

• Chemical Name: 4-Fluoro-3-(trifluoromethyl)cinnamic acid
• CAS No.: 239463-90-2
• Molecular Formula: C10H6 F4 O2
• Molecular Weight: 234.15
• Hs Code.: 2916399090
• European Community (EC) Number: 671-891-7
• DSSTox Substance ID: DTXSID00420683
• Wikidata: Q76310548
• Mol file: 239463-90-2.mol

Synonyms:4-Fluoro-3-(trifluoromethyl)cinnamic acid;239463-90-2;695187-00-9;3-(4-Fluoro-3-(trifluoromethyl)phenyl)acrylic acid;(E)-3-[4-fluoro-3-(trifluoromethyl)phenyl]prop-2-enoic acid;(2E)-3-[4-fluoro-3-(trifluoromethyl)phenyl]prop-2-enoic acid;(e)-3-(4-fluoro-3-(trifluoromethyl)phenyl)acrylic acid;3-[4-fluoro-3-(trifluoromethyl)phenyl]prop-2-enoic Acid;SCHEMBL692664;DTXSID00420683;DESJUJUEXMNIGB-DUXPYHPUSA-N;MFCD00236298;AKOS015854251;PS-7673;4-FLUORO-3-(TRIFLUOROMETHYL)CINNAMICACID;EN300-1457061;EN300-1937547;A817003;3-(4-fluoro-3-trifluoromethyl-phenyl)-acrylic acid;(E)-3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propenoic acid;(E)-3-[4-fluoranyl-3-(trifluoromethyl)phenyl]prop-2-enoic acid

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

Chemical Property:

• Vapor Pressure: 0.000759mmHg at 25°C
• Melting Point: 141-144°C
• Refractive Index: 1.51
• Boiling Point: 294oC at 760 mmHg
• Flash Point: 131.6oC
• PSA: 37.30000
• Density: 1.438g/cm3
• LogP: 2.94230
• Storage Temp.: 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 234.03039208
• Heavy Atom Count: 16
• Complexity: 285

Purity/Quality:

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

4-Fluoro-3-(trifluoromethyl)cinnamicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C=CC(=O)O)C(F)(F)F)F
• Isomeric SMILES: C1=CC(=C(C=C1/C=C/C(=O)O)C(F)(F)F)F