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2,2',3,3'-Tetrachlorobiphenyl
[CAS# 38444-93-8]

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Identification
Name 2,2',3,3'-Tetrachlorobiphenyl
Synonyms 2,2',3,3'-Tetrachlorobiphenyl; Brn 1974252; Pcb 40
Molecular Structure CAS#: 38444-93-8, 2,2',3,3'-Tetrachlorobiphenyl
Molecular Formula C12H6Cl4
Molecular Weight 291.99
CAS Registry Number 38444-93-8
SMILES C2=C(C1=CC=CC(=C1Cl)Cl)C(=C(C=C2)Cl)Cl
InChI 1S/C12H6Cl4/c13-9-5-1-3-7(11(9)15)8-4-2-6-10(14)12(8)16/h1-6H
InChIKey VTLYHLREPCPDKX-UHFFFAOYSA-N
Properties
Density 1.442g/cm3 (Cal.)
Boiling point 352.819°C at 760 mmHg (Cal.)
Flash point 167.764°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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