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2,2',5,6'-Tetrachlorobiphenyl
[CAS# 41464-41-9]

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Identification
Classification Analytical chemistry >> Food safety >> Dioxins, polychlorinated biphenyls, furans
Name 2,2',5,6'-Tetrachlorobiphenyl
Synonyms 2,2',5,6'-Tetrachlorobiphenyl; 2,2',5,6'-Tetrachloro-1,1'-Biphenyl; 1,1'-Biphenyl, 2,2',5,6-Tetrachloro-
Molecular Structure CAS#: 41464-41-9, 2,2',5,6'-Tetrachlorobiphenyl
Molecular Formula C12H6Cl4
Molecular Weight 291.99
CAS Registry Number 41464-41-9
SMILES C1=C(Cl)C=CC(=C1C2=C(C=CC=C2Cl)Cl)Cl
InChI 1S/C12H6Cl4/c13-7-4-5-9(14)8(6-7)12-10(15)2-1-3-11(12)16/h1-6H
InChIKey SFTUSTXGTCCSHX-UHFFFAOYSA-N
Properties
Density 1.442g/cm3 (Cal.)
Boiling point 330.628°C at 760 mmHg (Cal.)
Flash point 151.34°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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