1-Hydroxychlordene
[CAS# 2597-11-7]

Identification

• Name: 1-Hydroxychlordene
• Synonyms: 3-Hydroxychlordene; 3A,4,7,7A-Tetrahydro-4,5,6,7,8,8-Hexachloro-4,7-Methanoinden-1-Ol; 4,5,6,7,8,8-Hexachloro-3A,4,7,7A-Tetrahydro-4,7-Methanoindenl-Ol
• Molecular Formula: C₁₀H₆Cl₆O
• Molecular Weight: 354.87
• CAS Registry Number: 2597-11-7
• SMILES: OC2C1C3(Cl)C(Cl)(Cl)C(Cl)(C1C=C2)C(=C3Cl)Cl
• InChI: 1S/C10H6Cl6O/c11-6-7(12)9(14)5-3(1-2-4(5)17)8(6,13)10(9,15)16/h1-5,17H
• InChIKey: YQWCIPIEEBVRNY-UHFFFAOYSA-N

Properties

• Density: 1.832g/cm³ (Cal.)
• Boiling point: 411.581°C at 760 mmHg (Cal.)
• Flash point: 202.717°C (Cal.)

References

• (1): Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493