ChemSpider 2D Image | 5-Chloro-4-methyl-4H-1,2,4-triazol-3-ol | C3H4ClN3O

5-Chloro-4-methyl-4H-1,2,4-triazol-3-ol

  • Molecular FormulaC3H4ClN3O
  • Average mass133.536 Da
  • Monoisotopic mass133.004288 Da
  • ChemSpider ID32989059

More details:

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

4H-1,2,4-Triazol-3-ol, 5-chloro-4-methyl- [ACD/Index Name]
5-Chlor-4-methyl-4H-1,2,4-triazol-3-ol [German] [ACD/IUPAC Name]
5-Chloro-4-methyl-4H-1,2,4-triazol-3-ol [ACD/IUPAC Name]
5-Chloro-4-méthyl-4H-1,2,4-triazol-3-ol [French] [ACD/IUPAC Name]
22354-87-6 [RN]
MFCD09995743

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

Density: 1.7±0.1 g/cm3
Boiling Point: 367.5±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.8±3.0 kJ/mol
Flash Point: 176.1±23.2 °C
Index of Refraction: 1.671
Molar Refractivity: 29.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.52
ACD/LogD (pH 5.5): 0.45
ACD/BCF (pH 5.5): 1.28
ACD/KOC (pH 5.5): 41.13
ACD/LogD (pH 7.4): -0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.02
Polar Surface Area: 51 Å2
Polarizability: 11.6±0.5 10-24cm3
Surface Tension: 59.1±7.0 dyne/cm
Molar Volume: 77.9±7.0 cm3

Click to predict properties on the Chemicalize site


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