(1R,3S)-3-(4-Fluorobenzoyl)cyclohexanecarboxylic acid
[CAS# 735269-81-5]

Identification

• Name: (1R,3S)-3-(4-Fluorobenzoyl)cyclohexanecarboxylic acid
• Synonyms: cis-3-(4-fluorobenzoyl)cyclohexane-1-carboxylic acid; MFCD01311280
• Molecular Formula: C₁₄H₁₅FO₃
• Molecular Weight: 250.27
• CAS Registry Number: 735269-81-5
• SMILES: O=C(O)[C@H]1C[C@H](CCC1)C(=O)c2ccc(F)cc2
• InChI: 1S/C14H15FO3/c15-12-6-4-9(5-7-12)13(16)10-2-1-3-11(8-10)14(17)18/h4-7,10-11H,1-3,8H2,(H,17,18)/t10-,11+/m0/s1
• InChIKey: LFNKATYHEDQSIH-WDEREUQCSA-N

Properties

• Density: 1.252g/cm³ (Cal.)
• Melting point: 124-127°C (Expl.)
• Boiling point: 418.574°C at 760 mmHg (Cal.)
• Flash point: 206.946°C (Cal.)
• Refractive index: 1.547 (Cal.)

Safety Data

• Safety Description: IRRITANT