1-Ethynylnaphthalene
[CAS# 304905-17-7]

Identification

• Name: 1-Ethynylnaphthalene
• Synonyms: 1-ethynyl-naphthalene
• Molecular Formula: C₁₂H₈
• Molecular Weight: 152.19
• CAS Registry Number: 304905-17-7
• SMILES: C#CC1=CC=CC2=CC=CC=C21
• InChI: 1S/C12H8/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h1,3-9H
• InChIKey: MCZUXEWWARACSP-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 270.4±9.0°C at 760 mmHg (Cal.)
• Flash point: 106.3±12.9°C (Cal.)
• Refractive index: 1.644 (Cal.)

References

• (1): Raymond J. Abraham and Matthew Reid. Proton chemical shifts in NMR. Part 16. Proton chemical shifts in acetylenes and the anisotropic and steric effects of the acetylene group, J. Chem. Soc., Perkin Trans. 2, 2001, 0, 1195.