7-Chloro-1-(3-nitrophenyl)-1-heptanone
[CAS# 898768-50-8]

Identification

• Name: 7-Chloro-1-(3-nitrophenyl)-1-heptanone
• Synonyms: 7-chloro-1-(3-nitrophenyl)-1-oxoheptane
• Molecular Formula: C₁₃H₁₆ClNO₃
• Molecular Weight: 269.72
• CAS Registry Number: 898768-50-8
• SMILES: O=[N+]([O-])c1cc(ccc1)C(=O)CCCCCCCl
• InChI: 1S/C13H16ClNO3/c14-9-4-2-1-3-8-13(16)11-6-5-7-12(10-11)15(17)18/h5-7,10H,1-4,8-9H2
• InChIKey: ZFRGZZPUGGAEDZ-UHFFFAOYSA-N

Properties

• Density: 1.19g/cm³ (Cal.)
• Boiling point: 376.583°C at 760 mmHg (Cal.)
• Flash point: 181.551°C (Cal.)
• Refractive index: 1.537 (Cal.)