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2,2',4,6,6'-Pentachlorobiphenyl
[CAS# 56558-16-8]

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Identification
Name 2,2',4,6,6'-Pentachlorobiphenyl
Synonyms 1,1'-Biphenyl, 2,2',4,6,6'-Pentachloro-; 2,2',4,6,6'-Pentachloro-1,1'-Biphenyl; 2,4,6,2',6'-Pentachlorobiphenyl
Molecular Structure CAS#: 56558-16-8, 2,2',4,6,6'-Pentachlorobiphenyl
Molecular Formula C12H5Cl5
Molecular Weight 326.44
CAS Registry Number 56558-16-8
SMILES C1=C(Cl)C=C(C(=C1Cl)C2=C(C=CC=C2Cl)Cl)Cl
InChI 1S/C12H5Cl5/c13-6-4-9(16)12(10(17)5-6)11-7(14)2-1-3-8(11)15/h1-5H
InChIKey MTCPZNVSDFCBBE-UHFFFAOYSA-N
Properties
Density 1.522g/cm3 (Cal.)
Boiling point 341.648°C at 760 mmHg (Cal.)
Flash point 156.118°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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