4-Fluoro-3-(trifluoromethyl)cinnamic acid

• CAS: 239463-90-2
• Catalog Number: ACM239463902
• Category: Other Products
• Molecular Weight: 234.15
• Molecular Formula: C₁₀H₆F₄O₂
• Synonyms: 3-(4-Fluoro-3-(trifluoromethyl)phenyl)acrylic acid
• IUPAC Name: (E)-3-[4-Fluoro-3-(trifluoromethyl)phenyl]prop-2-enoic acid
• Canonical SMILES: C1=CC(=C(C=C1C=CC(=O)O)C(F)(F)F)F
• InChI: InChI=1S/C10H6F4O2/c11-8-3-1-6(2-4-9(15)16)5-7(8)10(12,13)14/h1-5H,(H,15,16)/b4-2+
• InChI Key: DESJUJUEXMNIGB-DUXPYHPUSA-N
• Boiling Point: 294ºC at 760 mmHg
• Melting Point: 141-144 °C
• Flash Point: 131.6ºC
• 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=C1/C=C/C(=O)O)C(F)(F)F)F
• Monoisotopic Mass: 234.03039208
• Safety Description: 26-36
• Storage Conditions: 2-8 °C
• Topological Polar Surface Area: 37.3 Ų