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2,2',4,5'-Tetrachlorobiphenyl
[CAS# 41464-40-8]

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Identification
Name 2,2',4,5'-Tetrachlorobiphenyl
Synonyms Inchi=1/C12h6cl4/C13-7-2-4-11(15)10(5-7)9-3-1-8(14)6-12(9)16/H1-6; 1,1'-Biphenyl, 2,2',4,5'-Tetrachloro-; 2,2',4,5'-Tetrachlorobiphenyl
Molecular Structure CAS#: 41464-40-8, 2,2',4,5'-Tetrachlorobiphenyl
Molecular Formula C12H6Cl4
Molecular Weight 291.99
CAS Registry Number 41464-40-8
SMILES C1=C(Cl)C=CC(=C1C2=C(C=C(Cl)C=C2)Cl)Cl
InChI 1S/C12H6Cl4/c13-7-2-4-11(15)10(5-7)9-3-1-8(14)6-12(9)16/h1-6H
InChIKey ZWPVHELAQPIZHO-UHFFFAOYSA-N
Properties
Density 1.442g/cm3 (Cal.)
Boiling point 343.776°C at 760 mmHg (Cal.)
Flash point 161.071°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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