1-Nitro-4-(1-Octyn-1-Yl)Benzene
[CAS# 326487-53-0]

Identification

• Name: 1-Nitro-4-(1-Octyn-1-Yl)Benzene
• Synonyms: 1-nitro-4-(oct-1-yn-1-yl)benzene; 1-Nitro-4-(oct-1-ynyl)benzene; benzene, 1-nitro-4-(1-octyn-1-yl)-
• Molecular Formula: C₁₄H₁₇NO₂
• Molecular Weight: 231.29
• CAS Registry Number: 326487-53-0
• SMILES: [O-][N+](=O)c1ccc(C#CCCCCCC)cc1
• InChI: 1S/C14H17NO2/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)15(16)17/h9-12H,2-6H2,1H3
• InChIKey: CGOAGKYOZBGGJG-UHFFFAOYSA-N

Properties

• Density: 1.068g/cm³ (Cal.)
• Boiling point: 351.579°C at 760 mmHg (Cal.)
• Flash point: 151.65°C (Cal.)
• Refractive index: 1.539 (Cal.)

References

• (1): Bruce A. Hathaway and Steven W. Blanner. 1-(4-Nitrophenyl)-1-octyne, Molecules 2000 Volume 5 Page M171