1,2,4,8-Tetrachloronaphthalene
[CAS# 6529-87-9]

Identification

• Name: 1,2,4,8-Tetrachloronaphthalene
• Synonyms: Inchi=1/C12h14/C1-3-7-11(8-4-1)12-9-5-2-6-10-12/H1,3-4,7-9H,2,5-6,10H; Cyclohex-1-En-1-Ylbenzene; Trans-1-Phenylcyclohexene
• Molecular Formula: C₁₂H₁₄
• Molecular Weight: 158.24
• CAS Registry Number: 6529-87-9
• SMILES: C2=C(C1=CCCCC1)C=CC=C2
• InChI: 1S/C12H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-9H,2,5-6,10H2
• InChIKey: WCMSFBRREKZZFL-UHFFFAOYSA-N

Properties

• Density: 0.992 (Expl.)
• Melting point: -11°C (Expl.)
• Boiling point: 250-252°C (Expl.)
• Flash point: 103.333°C (Cal.)
• Refractive index: 1.57 (Expl.)

Safety Data

• Safety Description: CAUTION: May cause narcosis, irritation

References

• (1): Vu P. Bui, Trond Vidar Hansen, Yngve Stenstrøm, Tomas Hudlicky and Douglas W. Ribbons. A study of substrate specificity of toluene dioxygenase in processing aromatic compounds containing benzylic and/or remote chiral centers, New J. Chem., 2001, 25, 116.