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2,2',3,3',4-Pentachlorobiphenyl
[CAS# 52663-62-4]

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Identification
Name 2,2',3,3',4-Pentachlorobiphenyl
Synonyms Aroclor 1254; 1,1'-Biphenyl, 2,2',3,3',4-Pentachloro-; 2,2',3,3',4'-Pentachlorobiphenyl
Molecular Structure CAS#: 52663-62-4, 2,2',3,3',4-Pentachlorobiphenyl
Molecular Formula C12H5Cl5
Molecular Weight 326.44
CAS Registry Number 52663-62-4
SMILES C2=C(C1=CC=CC(=C1Cl)Cl)C(=C(C(=C2)Cl)Cl)Cl
InChI 1S/C12H5Cl5/c13-8-3-1-2-6(10(8)15)7-4-5-9(14)12(17)11(7)16/h1-5H
InChIKey AUGNBQPSMWGAJE-UHFFFAOYSA-N
Properties
Density 1.522g/cm3 (Cal.)
Boiling point 378.796°C at 760 mmHg (Cal.)
365-390°C (Expl.)
Flash point 183.611°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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