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2,3',5-Trichlorobiphenyl
[CAS# 38444-81-4]

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Identification
Classification Analytical chemistry >> Food safety >> Dioxins, polychlorinated biphenyls, furans
Name 2,3',5-Trichlorobiphenyl
Synonyms 2,3',5-Trichloro-1,1'-Biphenyl; Chebi:34215; 2,3',5-Trichlorobiphenyl
Molecular Structure CAS#: 38444-81-4, 2,3',5-Trichlorobiphenyl
Molecular Formula C12H7Cl3
Molecular Weight 257.55
CAS Registry Number 38444-81-4
SMILES C1=C(C(=CC=C1Cl)Cl)C2=CC=CC(=C2)Cl
InChI 1S/C12H7Cl3/c13-9-3-1-2-8(6-9)11-7-10(14)4-5-12(11)15/h1-7H
InChIKey ONNCPBRWFSKDMQ-UHFFFAOYSA-N
Properties
Density 1.351g/cm3 (Cal.)
Boiling point 334.655°C at 760 mmHg (Cal.)
Flash point 229.909°C (Cal.)
Safety Data
SDS Available
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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