7-Chloro-2,5-Methano-5H-1,4-Benzodioxepin-3(2H)-One
[CAS# 77155-94-3]

Identification

• Name: 7-Chloro-2,5-Methano-5H-1,4-Benzodioxepin-3(2H)-One
• Synonyms: 6-Chloro-4-Hydroxychroman-2-Carboxylic Acid Lactone; Chccal
• Molecular Formula: C₁₀H₇ClO₃
• Molecular Weight: 210.62
• CAS Registry Number: 77155-94-3
• SMILES: C2=C1C3OC(C(OC1=CC=C2Cl)C3)=O
• InChI: 1S/C10H7ClO3/c11-5-1-2-7-6(3-5)8-4-9(13-7)10(12)14-8/h1-3,8-9H,4H2
• InChIKey: CBOXLTPDJBPWPZ-UHFFFAOYSA-N

Properties

• Density: 1.47g/cm³ (Cal.)
• Boiling point: 384.535°C at 760 mmHg (Cal.)
• Flash point: 180.096°C (Cal.)