ChemSpider 2D Image | 3-(Iodomethyl)-1H-pyrazole | C4H5IN2

3-(Iodomethyl)-1H-pyrazole

  • Molecular FormulaC4H5IN2
  • Average mass208.000 Da
  • Monoisotopic mass207.949738 Da
  • ChemSpider ID72746746

More details:

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

1H-Pyrazole, 3-(iodomethyl)- [ACD/Index Name]
3-(Iodmethyl)-1H-pyrazol [German] [ACD/IUPAC Name]
3-(Iodomethyl)-1H-pyrazole [ACD/IUPAC Name]
3-(Iodométhyl)-1H-pyrazole [French] [ACD/IUPAC Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 326.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.6±3.0 kJ/mol
Flash Point: 151.2±23.2 °C
Index of Refraction: 1.688
Molar Refractivity: 36.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.25
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 11.20
ACD/KOC (pH 5.5): 196.10
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 11.20
ACD/KOC (pH 7.4): 196.20
Polar Surface Area: 29 Å2
Polarizability: 14.5±0.5 10-24cm3
Surface Tension: 64.0±3.0 dyne/cm
Molar Volume: 96.1±3.0 cm3

Click to predict properties on the Chemicalize site


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