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Home >> Chemical Listing >> P >> 2,2',3,4,5-Pentachlorobiphenyl

2,2',3,4,5-Pentachlorobiphenyl
[CAS# 55312-69-1]

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Identification
Classification Analytical chemistry >> Food safety >> Dioxins, polychlorinated biphenyls, furans
Name 2,2',3,4,5-Pentachlorobiphenyl
Synonyms 1,1'-Biphenyl, 2,2',3,4,5-Pentachloro-; 2,2',3,4,5-Pentachloro-1,1'-Biphenyl
Molecular Structure CAS#: 55312-69-1， 2,2',3,4,5-Pentachlorobiphenyl
Molecular Formula C12H5Cl5
Molecular Weight 326.44
CAS Registry Number 55312-69-1
SMILES C2=C(C1=CC=CC=C1Cl)C(=C(C(=C2Cl)Cl)Cl)Cl
InChI 1S/C12H5Cl5/c13-8-4-2-1-3-6(8)7-5-9(14)11(16)12(17)10(7)15/h1-5H
InChIKey AIURIRUDHVDRFQ-UHFFFAOYSA-N
Properties
Density 1.522g/cm3 (Cal.)
Boiling point 375.006°C at 760 mmHg (Cal.)
Flash point 180.806°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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