1,2,3-Butatriene
[CAS# 2873-50-9]

Identification

• Name: 1,2,3-Butatriene
• Synonyms: Chebi:37609; Butatriene; 1,2,3-Butatriene
• Molecular Formula: C₄H₄
• Molecular Weight: 52.08
• CAS Registry Number: 2873-50-9
• SMILES: C(=C)=C=C
• InChI: 1S/C4H4/c1-3-4-2/h1-2H2
• InChIKey: WHVXVDDUYCELKP-UHFFFAOYSA-N

Properties

• Density: 0.589g/cm³ (Cal.)
• Boiling point: 42.27°C at 760 mmHg (Cal.)
• Flash point: -44.643°C (Cal.)

References

• (1): Subhankar Sardar, Amit Kumar Paul, Padmabati Mondal, Biplab Sarkar and Satrajit Adhikari. A quantum-classical approach to the molecular dynamics of butatriene cation with a realistic model Hamiltonian, Phys. Chem. Chem. Phys., 2008, 10, 6388.