ChemSpider 2D Image | 5-Chloro-1-ethyl-1H-1,2,4-triazole | C4H6ClN3

5-Chloro-1-ethyl-1H-1,2,4-triazole

  • Molecular FormulaC4H6ClN3
  • Average mass131.564 Da
  • Monoisotopic mass131.025024 Da
  • ChemSpider ID24218183

More details:

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

1H-1,2,4-Triazole, 5-chloro-1-ethyl- [ACD/Index Name]
5-Chlor-1-ethyl-1H-1,2,4-triazol [German] [ACD/IUPAC Name]
5-Chloro-1-ethyl-1H-1,2,4-triazole [ACD/IUPAC Name]
5-Chloro-1-éthyl-1H-1,2,4-triazole [French] [ACD/IUPAC Name]
63520-39-8 [RN]
1H-1,2,4-Triazole, 5-chloro-1-ethyl- (9CI)
1H-1,2,4-TRIAZOLE,5-CHLORO-1-ETHYL-
1H-1,2,4-TRIAZOLE,5-CHLORO-1-ETHYL-(9CI)
CCn1ncnc1Cl
MFCD18807075

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

Density: 1.4±0.1 g/cm3
Boiling Point: 243.6±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.1±3.0 kJ/mol
Flash Point: 101.1±22.6 °C
Index of Refraction: 1.596
Molar Refractivity: 32.9±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.93
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 2.70
ACD/KOC (pH 5.5): 70.88
ACD/LogD (pH 7.4): 0.87
ACD/BCF (pH 7.4): 2.70
ACD/KOC (pH 7.4): 70.88
Polar Surface Area: 31 Å2
Polarizability: 13.0±0.5 10-24cm3
Surface Tension: 43.9±7.0 dyne/cm
Molar Volume: 96.7±7.0 cm3

Click to predict properties on the Chemicalize site


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