ChemSpider 2D Image | 3-(4-Iodo-3,5-dimethyl-1H-pyrazol-1-yl)propanenitrile | C8H10IN3

3-(4-Iodo-3,5-dimethyl-1H-pyrazol-1-yl)propanenitrile

  • Molecular FormulaC8H10IN3
  • Average mass275.090 Da
  • Monoisotopic mass274.991943 Da
  • ChemSpider ID21800435

More details:






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

1H-Pyrazole-1-propanenitrile, 4-iodo-3,5-dimethyl- [ACD/Index Name]
3-(4-Iod-3,5-dimethyl-1H-pyrazol-1-yl)propannitril [German] [ACD/IUPAC Name]
3-(4-Iodo-3,5-dimethyl-1H-pyrazol-1-yl)propanenitrile [ACD/IUPAC Name]
3-(4-Iodo-3,5-diméthyl-1H-pyrazol-1-yl)propanenitrile [French] [ACD/IUPAC Name]
[1170855-52-3]
1170855-52-3 [RN]
3-(4-Iodo-3,5-dimethyl-1H-pyrazol-1-yl)-propanenitrile
3-(4-iodo-3,5-dimethylpyrazol-1-yl)propanenitrile
3-(4-iodo-3,5-dimethylpyrazolyl)propanenitrile

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

MFCD12026948 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 364.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.0±3.0 kJ/mol
Flash Point: 173.9±27.9 °C
Index of Refraction: 1.641
Molar Refractivity: 58.1±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 24.17
ACD/KOC (pH 5.5): 340.24
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 24.17
ACD/KOC (pH 7.4): 340.25
Polar Surface Area: 42 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 45.2±7.0 dyne/cm
Molar Volume: 160.9±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement