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2,2',3,4,6-Pentachlorobiphenyl
[CAS# 55215-17-3]

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Identification
Name 2,2',3,4,6-Pentachlorobiphenyl
Synonyms 2,2',3,4,6-Pentachloro-1,1'-Biphenyl; 2,2',3,4,6-Pentachlorobiphenyl; 1,1'-Biphenyl, 2,2',3,4,6-Pentachloro-
Molecular Structure CAS#: 55215-17-3, 2,2',3,4,6-Pentachlorobiphenyl
Molecular Formula C12H5Cl5
Molecular Weight 326.44
CAS Registry Number 55215-17-3
SMILES C2=C(C1=C(C=C(C(=C1Cl)Cl)Cl)Cl)C(=CC=C2)Cl
InChI 1S/C12H5Cl5/c13-7-4-2-1-3-6(7)10-8(14)5-9(15)11(16)12(10)17/h1-5H
InChIKey QGDKRLQRLFUJPP-UHFFFAOYSA-N
Properties
Density 1.522g/cm3 (Cal.)
Boiling point 357.181°C at 760 mmHg (Cal.)
Flash point 167.614°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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