4-(4-Pentyn-1-Yloxy)Benzonitrile
[CAS# 368453-52-5]

Identification

• Name: 4-(4-Pentyn-1-Yloxy)Benzonitrile
• Synonyms: 4-(pent-4-yn-1-yloxy)benzonitrile; InChI=1/C12H11NO/c1-2-3-4-9-14-12-7-5-11(10-13)6-8-12/h1,5-8H,3-4,9H2
• Molecular Formula: C₁₂H₁₁NO
• Molecular Weight: 185.22
• CAS Registry Number: 368453-52-5
• SMILES: C#CCCCOC1=CC=C(C=C1)C#N
• InChI: 1S/C12H11NO/c1-2-3-4-9-14-12-7-5-11(10-13)6-8-12/h1,5-8H,3-4,9H2
• InChIKey: YIAGWWSDNLVXTJ-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 327.7±22.0°C at 760 mmHg (Cal.)
• Flash point: 138.3±16.2°C (Cal.)
• Refractive index: 1.536 (Cal.)

References

• (1): Yongsheng Chen, Wei Zhang, Xi Chen, Jianqiang Wang and Peng George Wang. aGal-conjugated anti-rhinovirus agents: chemo-enzymatic syntheses and testing of anti-Gal binding, J. Chem. Soc., Perkin Trans. 1, 2001, 0, 1716.