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2,2',6,6'-Tetrachlorobiphenyl
[CAS# 15968-05-5]

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Identification
Name 2,2',6,6'-Tetrachlorobiphenyl
Synonyms 2,6,2',6'-Tetrachlorobiphenyl; 3-05-00-01741 (Beilstein Handbook Reference); Brn 2054497
Molecular Structure CAS#: 15968-05-5, 2,2',6,6'-Tetrachlorobiphenyl
Molecular Formula C12H6Cl4
Molecular Weight 291.99
CAS Registry Number 15968-05-5
SMILES C1=CC=C(C(=C1Cl)C2=C(Cl)C=CC=C2Cl)Cl
InChI 1S/C12H6Cl4/c13-7-3-1-4-8(14)11(7)12-9(15)5-2-6-10(12)16/h1-6H
InChIKey PXAGFNRKXSYIHU-UHFFFAOYSA-N
Properties
Density 1.442g/cm3 (Cal.)
Boiling point 316.807°C at 760 mmHg (Cal.)
Flash point 141.112°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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