ChemSpider 2D Image | 3-Iodo-1-(2-methyl-2-propanyl)-1H-pyrazole-4-carbonitrile | C8H10IN3

3-Iodo-1-(2-methyl-2-propanyl)-1H-pyrazole-4-carbonitrile

  • Molecular FormulaC8H10IN3
  • Average mass275.090 Da
  • Monoisotopic mass274.991943 Da
  • ChemSpider ID58814514

More details:






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

1H-Pyrazole-4-carbonitrile, 1-(1,1-dimethylethyl)-3-iodo- [ACD/Index Name]
3-Iod-1-(2-methyl-2-propanyl)-1H-pyrazol-4-carbonitril [German] [ACD/IUPAC Name]
3-Iodo-1-(2-methyl-2-propanyl)-1H-pyrazole-4-carbonitrile [ACD/IUPAC Name]
3-Iodo-1-(2-méthyl-2-propanyl)-1H-pyrazole-4-carbonitrile [French] [ACD/IUPAC Name]
1-(tert-Butyl)-3-iodo-1H-pyrazole-4-carbonitrile
1638182-14-5 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 334.2±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.7±3.0 kJ/mol
Flash Point: 155.9±23.7 °C
Index of Refraction: 1.624
Molar Refractivity: 58.4±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 50.73
ACD/KOC (pH 5.5): 578.44
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 50.73
ACD/KOC (pH 7.4): 578.44
Polar Surface Area: 42 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 43.4±7.0 dyne/cm
Molar Volume: 165.4±7.0 cm3

Click to predict properties on the Chemicalize site






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