ChemSpider 2D Image | 5-Methylisoxazole-3-carbonitrile | C5H4N2O

5-Methylisoxazole-3-carbonitrile

  • Molecular FormulaC5H4N2O
  • Average mass108.098 Da
  • Monoisotopic mass108.032364 Da
  • ChemSpider ID21472835

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-Isoxazolecarbonitrile, 5-methyl- [ACD/Index Name]
57351-99-2 [RN]
5-Methyl-1,2-oxazol-3-carbonitril [German] [ACD/IUPAC Name]
5-Methyl-1,2-oxazole-3-carbonitrile [ACD/IUPAC Name]
5-Méthyl-1,2-oxazole-3-carbonitrile [French] [ACD/IUPAC Name]
5-Methylisoxazole-3-carbonitrile
[57351-99-2] [RN]
1-(2-(Phenylsulfonyl)acetyl)pyrrolidin-2-one
3-Cyano-5-methylisoxazole
3-Cyano-5-methylisoxazole;
More...
  • Miscellaneous

    • Safety:

      20/21/22-36/37/38 Alfa Aesar H61553
      6.1 Alfa Aesar H61553
      9-23-26-36/37-60 Alfa Aesar H61553
      H302, H315, H319, H335. ChemBridge 4040331
      H302-H312-H332-H315-H319-H335 Alfa Aesar H61553
      P261-P280-P305+P351+P338-P304+P340-P405-P501a Alfa Aesar H61553
      Warning ChemBridge 4040331
      Warning Alfa Aesar H61553

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 249.4±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.7±3.0 kJ/mol
Flash Point: 104.6±21.8 °C
Index of Refraction: 1.488
Molar Refractivity: 26.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.02
ACD/LogD (pH 5.5): 0.35
ACD/BCF (pH 5.5): 1.08
ACD/KOC (pH 5.5): 36.83
ACD/LogD (pH 7.4): 0.35
ACD/BCF (pH 7.4): 1.08
ACD/KOC (pH 7.4): 36.83
Polar Surface Area: 50 Å2
Polarizability: 10.4±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 91.0±5.0 cm3

Click to predict properties on the Chemicalize site


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