Heptan-3-Yl 2-Bromoacetate
[CAS# 59956-53-5]

Identification

• Name: Heptan-3-Yl 2-Bromoacetate
• Synonyms: 1-Ethylpentyl 2-Bromoacetate; 2-Bromoacetic Acid 1-Ethylpentyl Ester; Heptan-3-Yl 2-Bromoethanoate
• Molecular Formula: C₉H₁₇BrO₂
• Molecular Weight: 237.14
• CAS Registry Number: 59956-53-5
• SMILES: C(CCC(CC)OC(=O)CBr)C
• InChI: 1S/C9H17BrO2/c1-3-5-6-8(4-2)12-9(11)7-10/h8H,3-7H2,1-2H3
• InChIKey: YISRSMKWOWPTKR-UHFFFAOYSA-N

Properties

• Density: 1.221g/cm³ (Cal.)
• Boiling point: 227.73°C at 760 mmHg (Cal.)
• Flash point: 101.879°C (Cal.)