4-(4-Chloro-2-methylphenyl)-4-oxobutanoic acid
[CAS# 91193-36-1]

Identification

• Name: 4-(4-Chloro-2-methylphenyl)-4-oxobutanoic acid
• Synonyms: 4-(4-Chloro-2-methylphenyl)-4-oxobutyric acid; MFCD09801804
• Molecular Formula: C₁₁H₁₁ClO₃
• Molecular Weight: 226.66
• CAS Registry Number: 91193-36-1
• SMILES: O=C(CCC(O)=O)c1ccc(Cl)cc1C
• InChI: 1S/C11H11ClO3/c1-7-6-8(12)2-3-9(7)10(13)4-5-11(14)15/h2-3,6H,4-5H2,1H3,(H,14,15)
• InChIKey: NSDRHDOONJOREQ-UHFFFAOYSA-N

Properties

• Density: 1.282g/cm³ (Cal.)
• Boiling point: 420.993°C at 760 mmHg (Cal.)
• Flash point: 208.41°C (Cal.)

Safety Data

• Safety Description: IRRITANT, FLAMMABLE