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

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CAS#: 2597-11-7
Product: 1-Hydroxychlordene
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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 Structure CAS#: 2597-11-7, 1-Hydroxychlordene
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
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