2,6-Dichlorobiphenyl
[CAS# 33146-45-1]

Identification

• Classification: Analytical chemistry >> Food safety >> Dioxins, polychlorinated biphenyls, furans
• Name: 2,6-Dichlorobiphenyl
• Synonyms: 1,3-Dichloro-2-Phenyl-Benzene; 2,6-Dichlorobiphenyl; 2,6-Dichloro-1,1'-Biphenyl
• Molecular Formula: C₁₂H₈Cl₂
• Molecular Weight: 223.10
• CAS Registry Number: 33146-45-1
• SMILES: C1=CC=CC=C1C2=C(C=CC=C2Cl)Cl
• InChI: 1S/C12H8Cl2/c13-10-7-4-8-11(14)12(10)9-5-2-1-3-6-9/h1-8H
• InChIKey: IYZWUWBAFUBNCH-UHFFFAOYSA-N

Properties

• Density: 1.249g/cm³ (Cal.)
• Boiling point: 288.165°C at 760 mmHg (Cal.)
• Flash point: 121.601°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