ChemSpider 2D Image | 2-(3-Nitro-1H-1,2,4-triazol-1-yl)ethanol | C4H6N4O3

2-(3-Nitro-1H-1,2,4-triazol-1-yl)ethanol

  • Molecular FormulaC4H6N4O3
  • Average mass158.115 Da
  • Monoisotopic mass158.043991 Da
  • ChemSpider ID27031238

More details:






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

1H-1,2,4-Triazole-1-ethanol, 3-nitro- [ACD/Index Name]
2-(3-Nitro-1H-1,2,4-triazol-1-yl)ethanol [German] [ACD/IUPAC Name]
2-(3-Nitro-1H-1,2,4-triazol-1-yl)ethanol [ACD/IUPAC Name]
2-(3-Nitro-1H-1,2,4-triazol-1-yl)éthanol [French] [ACD/IUPAC Name]
105958-72-3 [RN]
2-(3-nitro-1H-1,2,4-triazol-1-yl)ethan-1-ol
MFCD03059897

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

Density: 1.7±0.1 g/cm3
Boiling Point: 438.3±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.3±3.0 kJ/mol
Flash Point: 218.9±29.3 °C
Index of Refraction: 1.694
Molar Refractivity: 35.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.13
ACD/LogD (pH 5.5): -0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.62
ACD/LogD (pH 7.4): -0.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.62
Polar Surface Area: 97 Å2
Polarizability: 13.9±0.5 10-24cm3
Surface Tension: 87.3±7.0 dyne/cm
Molar Volume: 91.2±7.0 cm3

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