4-Chlorobenzoic Acid, 3-Methylbutyl Ester
[CAS# 6942-75-2]

Identification

• Name: 4-Chlorobenzoic Acid, 3-Methylbutyl Ester
• Synonyms: Isopentyl 4-Chlorobenzoate; 4-Chlorobenzoic Acid Isopentyl Ester; 4-Chlorobenzoic Acid Isoamyl Ester
• Molecular Formula: C₁₂H₁₅ClO₂
• Molecular Weight: 226.70
• CAS Registry Number: 6942-75-2
• SMILES: C1=C(C=CC(=C1)C(OCCC(C)C)=O)Cl
• InChI: 1S/C12H15ClO2/c1-9(2)7-8-15-12(14)10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3
• InChIKey: YBRVJNBUZZRJDV-UHFFFAOYSA-N

Properties

• Density: 1.102g/cm³ (Cal.)
• Boiling point: 285.604°C at 760 mmHg (Cal.)
• Flash point: 131.267°C (Cal.)