7-Chloro-1-(3,4-dimethoxyphenyl)-1-heptanone
[CAS# 898786-81-7]

Identification

• Name: 7-Chloro-1-(3,4-dimethoxyphenyl)-1-heptanone
• Synonyms: 1-Chloro-7-(3,4-dimethoxyphenyl)-7-oxoheptane
• Molecular Formula: C₁₅H₂₁ClO₃
• Molecular Weight: 284.78
• CAS Registry Number: 898786-81-7
• SMILES: COc1cc(ccc1OC)C(=O)CCCCCCCl
• InChI: 1S/C15H21ClO3/c1-18-14-9-8-12(11-15(14)19-2)13(17)7-5-3-4-6-10-16/h8-9,11H,3-7,10H2,1-2H3
• InChIKey: VKUQTCKXQNAIQG-UHFFFAOYSA-N

Properties

• Density: 1.083g/cm³ (Cal.)
• Boiling point: 409.503°C at 760 mmHg (Cal.)
• Flash point: 154.674°C (Cal.)
• Refractive index: 1.502 (Cal.)