3-Chloro-4-Isobutylphenylacetic Acid
[CAS# 58880-42-5]

Identification

• Name: 3-Chloro-4-Isobutylphenylacetic Acid
• Synonyms: 2-(3-Chloro-4-Isobutyl-Phenyl)Acetic Acid; 2-(3-Chloro-4-Isobutylphenyl)Acetic Acid; 2-[3-Chloro-4-(2-Methylpropyl)Phenyl]Ethanoic Acid
• Molecular Formula: C₁₂H₁₅ClO₂
• Molecular Weight: 226.70
• CAS Registry Number: 58880-42-5
• SMILES: C1=C(C(=CC(=C1)CC(O)=O)Cl)CC(C)C
• InChI: 1S/C12H15ClO2/c1-8(2)5-10-4-3-9(6-11(10)13)7-12(14)15/h3-4,6,8H,5,7H2,1-2H3,(H,14,15)
• InChIKey: BEDNWFVESJXIEG-UHFFFAOYSA-N

Properties

• Density: 1.162g/cm³ (Cal.)
• Boiling point: 339.218°C at 760 mmHg (Cal.)
• Flash point: 158.954°C (Cal.)