3-(1,3-Butadiyn-1-yl)pyridine
[CAS# 648431-98-5]

Identification

• Name: 3-(1,3-Butadiyn-1-yl)pyridine
• Synonyms: 3-(buta-1,3-diyn-1-yl)pyridine; PYRIDINE, 3-(1,3-BUTADIYNYL)-
• Molecular Formula: C₉H₅N
• Molecular Weight: 127.14
• CAS Registry Number: 648431-98-5
• SMILES: C#CC#CC1=CN=CC=C1
• InChI: 1S/C9H5N/c1-2-3-5-9-6-4-7-10-8-9/h1,4,6-8H
• InChIKey: MQDIEZLSNHQGRV-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 216.5±22.0°C at 760 mmHg (Cal.)
• Flash point: 83.2±14.9°C (Cal.)
• Refractive index: 1.58 (Cal.)

References

• (1): Kara West, Changsheng Wang, Andrei S. Batsanov and Martin R. Bryce. Carbon-rich molecules: synthesis and isolation of aryl/heteroaryl terminal bis(butadiynes) (HCC–CC–Ar–CC–CCH) and their applications in the synthesis of oligo(arylenebutadiynylene) molecular wires, Org. Biomol. Chem., 2008, 6, 1934.