Propan-2-Yl 2-Bromohexanoate
[CAS# 5445-21-6]

Identification

• Name: Propan-2-Yl 2-Bromohexanoate
• Synonyms: Isopropyl 2-Bromohexanoate; 2-Bromohexanoic Acid Isopropyl Ester; Nsc21980
• Molecular Formula: C₉H₁₇BrO₂
• Molecular Weight: 237.14
• CAS Registry Number: 5445-21-6
• SMILES: C(C(C(OC(C)C)=O)Br)CCC
• InChI: 1S/C9H17BrO2/c1-4-5-6-8(10)9(11)12-7(2)3/h7-8H,4-6H2,1-3H3
• InChIKey: VJVQVUOTLKQHCD-UHFFFAOYSA-N

Properties

• Density: 1.219g/cm³ (Cal.)
• Boiling point: 217.271°C at 760 mmHg (Cal.)
• Flash point: 94.895°C (Cal.)