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ChemSpider 2D Image | (1-Methyl-1H-pyrazol-4-yl)acetonitrile | C6H7N3


  • Molecular FormulaC6H7N3
  • Average mass121.140 Da
  • Monoisotopic mass121.063995 Da
  • ChemSpider ID26457768

More details:

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

(1-Methyl-1H-pyrazol-4-yl)acetonitril [German] [ACD/IUPAC Name]
(1-Methyl-1H-pyrazol-4-yl)acetonitrile [ACD/IUPAC Name]
(1-Méthyl-1H-pyrazol-4-yl)acétonitrile [French] [ACD/IUPAC Name]
1H-Pyrazole-4-acetonitrile, 1-methyl- [ACD/Index Name]
(1-methyl-1H-pyrazol-4-yl)acetonitrile|1H-pyrazole-4-acetonitrile, 1-methyl-
754159-15-4 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 262.1±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.0±3.0 kJ/mol
Flash Point: 112.3±20.4 °C
Index of Refraction: 1.565
Molar Refractivity: 36.4±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.60
ACD/LogD (pH 5.5): 0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 30.85
ACD/LogD (pH 7.4): 0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 30.85
Polar Surface Area: 42 Å2
Polarizability: 14.4±0.5 10-24cm3
Surface Tension: 42.1±7.0 dyne/cm
Molar Volume: 111.8±7.0 cm3

Click to predict properties on the Chemicalize site