(1R,2R)-2-[2-(4-Chlorophenyl)-2-oxoethyl]cyclohexanecarboxylic acid
[CAS# 736136-41-7]

Identification

• Name: (1R,2R)-2-[2-(4-Chlorophenyl)-2-oxoethyl]cyclohexanecarboxylic acid
• Synonyms: cis-2-[2-(4-chlorophenyl)-2-oxoethyl]cyclohexane-1-carboxylic acid; cis-2-[2-(4-Chlorophenyl)-2-oxoethyl]-cyclohexane-1-carboxylic acid; MFCD01311359
• Molecular Formula: C₁₅H₁₇ClO₃
• Molecular Weight: 280.75
• CAS Registry Number: 736136-41-7
• SMILES: O=C(O)[C@@H]2CCCC[C@@H]2CC(=O)c1ccc(Cl)cc1
• InChI: 1S/C15H17ClO3/c16-12-7-5-10(6-8-12)14(17)9-11-3-1-2-4-13(11)15(18)19/h5-8,11,13H,1-4,9H2,(H,18,19)/t11-,13-/m1/s1
• InChIKey: PZKWNHCRQTZIHT-DGCLKSJQSA-N

Properties

• Density: 1.233g/cm³ (Cal.)
• Melting point: 115-118°C (Expl.)
• Boiling point: 459.354°C at 760 mmHg (Cal.)
• Flash point: 231.609°C (Cal.)
• Refractive index: 1.554 (Cal.)

Safety Data

• Safety Description: IRRITANT