3-Chloropropyl 4-Nitrobenzoate
[CAS# 58168-11-9]

Identification

• Name: 3-Chloropropyl 4-Nitrobenzoate
• Synonyms: 4-Nitrobenzoic Acid 3-Chloropropyl Ester; Nsc74790
• Molecular Formula: C₁₀H₁₀ClNO₄
• Molecular Weight: 243.65
• CAS Registry Number: 58168-11-9
• SMILES: C1=CC(=CC=C1C(=O)OCCCCl)[N+]([O-])=O
• InChI: 1S/C10H10ClNO4/c11-6-1-7-16-10(13)8-2-4-9(5-3-8)12(14)15/h2-5H,1,6-7H2
• InChIKey: AODHIKQFOZZUBA-UHFFFAOYSA-N

Properties

• Density: 1.327g/cm³ (Cal.)
• Boiling point: 388.904°C at 760 mmHg (Cal.)
• Flash point: 189.003°C (Cal.)