2-Chlorosantonin
[CAS# 28136-94-9]

Identification

• Name: 2-Chlorosantonin
• Synonyms: 7-Chloro-3,5A,9-Trimethyl-3A,4,5,9B-Tetrahydro-3H-Benzo[G]Benzofuran-2,8-Dione; 7-Chloro-3,5A,9-Trimethyl-3A,4,5,9B-Tetrahydro-3H-Benzo[G]Benzofuran-2,8-Quinone; .Alpha.-Chlorosantonin
• Molecular Formula: C₁₅H₁₇ClO₃
• Molecular Weight: 280.75
• CAS Registry Number: 28136-94-9
• SMILES: CC3=C2C1OC(=O)C(C1CCC2(C)C=C(Cl)C3=O)C
• InChI: 1S/C15H17ClO3/c1-7-9-4-5-15(3)6-10(16)12(17)8(2)11(15)13(9)19-14(7)18/h6-7,9,13H,4-5H2,1-3H3
• InChIKey: UXASVZPBDIQODI-UHFFFAOYSA-N

Properties

• Density: 1.277g/cm³ (Cal.)
• Boiling point: 461.605°C at 760 mmHg (Cal.)
• Flash point: 190.567°C (Cal.)