1,2,3,4-Tetraphenyl-1,3-Butadiene
[CAS# 806-71-3]

Identification

• Name: 1,2,3,4-Tetraphenyl-1,3-Butadiene
• Synonyms: [(3E)-1,3,4-Tri(Phenyl)Buta-1,3-Dien-2-Yl]Benzene; [(1E,3E)-1,3,4-Tri(Phenyl)Buta-1,3-Dien-2-Yl]Benzene; [(E,1E)-2,3-Di(Phenyl)-1-(Phenylmethylene)Prop-2-Enyl]Benzene
• Molecular Formula: C₂₈H₂₂
• Molecular Weight: 358.48
• CAS Registry Number: 806-71-3 (1608-11-3)
• SMILES: C4=C(C(/C(C1=CC=CC=C1)=C/C2=CC=CC=C2)=C\C3=CC=CC=C3)C=CC=C4
• InChI: 1S/C28H22/c1-5-13-23(14-6-1)21-27(25-17-9-3-10-18-25)28(26-19-11-4-12-20-26)22-24-15-7-2-8-16-24/h1-22H/b27-21+,28-22+
• InChIKey: DAABVBOFAIYKNX-GPAWKIAZSA-N

Properties

• Density: 1.108g/cm³ (Cal.)
• Boiling point: 495.112°C at 760 mmHg (Cal.)
• Flash point: 252.533°C (Cal.)

References

• (1): Joaquín López-Serrano, Simon B. Duckett, John P. Dunne, Cyril Godard and Adrian C. Whitwood. Palladium catalysed alkyne hydrogenation and oligomerisation: a parahydrogen based NMR investigation, Dalton Trans., 2008, 4270.