ChemSpider 2D Image | 3-(4-Bromo-2-chlorophenyl)-5-methyl-1H-1,2,4-triazole | C9H7BrClN3

3-(4-Bromo-2-chlorophenyl)-5-methyl-1H-1,2,4-triazole

  • Molecular FormulaC9H7BrClN3
  • Average mass272.529 Da
  • Monoisotopic mass270.951172 Da
  • ChemSpider ID25996319

More details:

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

1H-1,2,4-Triazole, 3-(4-bromo-2-chlorophenyl)-5-methyl- [ACD/Index Name]
3-(4-Brom-2-chlorphenyl)-5-methyl-1H-1,2,4-triazol [German] [ACD/IUPAC Name]
3-(4-Bromo-2-chlorophenyl)-5-methyl-1H-1,2,4-triazole [ACD/IUPAC Name]
3-(4-Bromo-2-chlorophényl)-5-méthyl-1H-1,2,4-triazole [French] [ACD/IUPAC Name]
1157455-94-1 [RN]
MFCD12065614
MFCD17167213 [MDL number]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 424.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.9±3.0 kJ/mol
Flash Point: 210.8±31.5 °C
Index of Refraction: 1.638
Molar Refractivity: 58.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 227.91
ACD/KOC (pH 5.5): 1695.22
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 227.23
ACD/KOC (pH 7.4): 1690.15
Polar Surface Area: 42 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 58.1±3.0 dyne/cm
Molar Volume: 163.9±3.0 cm3

Click to predict properties on the Chemicalize site


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