2-Fluoro-5-(trifluoromethyl)cinnamic acid

• CAS: 247113-91-3
• Catalog Number: ACM247113913
• Category: Other Products
• Molecular Weight: 234.15
• Molecular Formula: C₁₀H₆F₄O₂
• Synonyms: 3-(2-Fluoro-5-(trifluoromethyl)phenyl)acrylic acid
• IUPAC Name: (E)-3-[2-Fluoro-5-(trifluoromethyl)phenyl]prop-2-enoic acid
• Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)C=CC(=O)O)F
• InChI: InChI=1S/C10H6F4O2/c11-8-3-2-7(10(12,13)14)5-6(8)1-4-9(15)16/h1-5H,(H,15,16)/b4-1+
• InChI Key: AUPRFUNTWIUZEA-DAFODLJHSA-N
• Boiling Point: 281.6ºC at 760mmHg
• Melting Point: 118-121 °C
• Flash Point: 124.1ºC
• Density: 1.438g/cm³
• Exact Mass: 234.03039208
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 6
• H-Bond Donor: 1
• Isomeric SMILES: C1=CC(=C(C=C1C(F)(F)F)/C=C/C(=O)O)F
• Monoisotopic Mass: 234.03039208
• Safety Description: 26-36
• Storage Conditions: 2-8 °C
• Topological Polar Surface Area: 37.3 Ų