7-Methyl-7-Octenoic Acid
[CAS# 5212-71-5]

Identification

• Name: 7-Methyl-7-Octenoic Acid
• Synonyms: 2-Chloro-2-Fluoro-2-[2,3,4-Trifluoro-5,6-Di(Phenyl)Phenyl]Ethanamide; Bim-0007528.P001; Cbmicro_007517
• Molecular Formula: C₂₀H₁₂ClF₄NO
• Molecular Weight: 393.77
• CAS Registry Number: 5212-71-5
• SMILES: C3=C(C1=C(C(=C(F)C(=C1C(Cl)(F)C(=O)N)F)F)C2=CC=CC=C2)C=CC=C3
• InChI: 1S/C20H12ClF4NO/c21-20(25,19(26)27)15-13(11-7-3-1-4-8-11)14(12-9-5-2-6-10-12)16(22)18(24)17(15)23/h1-10H,(H2,26,27)
• InChIKey: AYEBZXMPWXFDKP-UHFFFAOYSA-N

Properties

• Density: 1.387g/cm³ (Cal.)
• Boiling point: 484.855°C at 760 mmHg (Cal.)
• Flash point: 247.031°C (Cal.)