3-Phenyl-1,4-Cyclohexadiene
[CAS# 4794-05-2]

Identification

• Name: 3-Phenyl-1,4-Cyclohexadiene
• Synonyms: 2,5-Cyclohexadienylbenzene; 1,4-Dihydrobiphenyl; Benzene, 2,5-Cyclohexadien-1-Yl-
• Molecular Formula: C₁₂H₁₂
• Molecular Weight: 156.23
• CAS Registry Number: 4794-05-2
• SMILES: C1=CC=C(C=C1)C2C=CCC=C2
• InChI: 1S/C12H12/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-10,12H,2H2
• InChIKey: AOLZGHVIBHTDNC-UHFFFAOYSA-N

Properties

• Density: 0.994g/cm³ (Cal.)
• Boiling point: 241.735°C at 760 mmHg (Cal.)
• Flash point: 94.503°C (Cal.)

References

• (1): Paul A. Baguley, Leon V. Jackson and John C. Walton. Preparation of 1-phenylcyclohexa-2,5-diene-1-carboxylates and their use in free-radical mediated syntheses, J. Chem. Soc., Perkin Trans. 1, 2002, 0, 304.