1-Nitro-4-(2-propyn-1-yl)benzene
[CAS# 944896-91-7]

Identification

• Name: 1-Nitro-4-(2-propyn-1-yl)benzene
• Synonyms: 1-nitro-4-(prop-2-yn-1-yl)benzene
• Molecular Formula: C₉H₇NO₂
• Molecular Weight: 161.16
• CAS Registry Number: 944896-91-7
• SMILES: C#CCc1ccc(cc1)[N+](=O)[O-]
• InChI: 1S/C9H7NO2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h1,4-7H,3H2
• InChIKey: QEXATVFEDHQPKW-UHFFFAOYSA-N

Properties

• Density: 1.199g/cm³ (Cal.)
• Boiling point: 259.083°C at 760 mmHg (Cal.)
• Flash point: 114.868°C (Cal.)
• Refractive index: 1.581 (Cal.)