ChemSpider 2D Image | 4-Bromo-5-(3-bromopropyl)-1-methyl-1H-1,2,3-triazole | C6H9Br2N3

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

  • Molecular FormulaC6H9Br2N3
  • Average mass282.964 Da
  • Monoisotopic mass280.916321 Da
  • ChemSpider ID52839733

More details:

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

1H-1,2,3-Triazole, 4-bromo-5-(3-bromopropyl)-1-methyl- [ACD/Index Name]
4-Brom-5-(3-brompropyl)-1-methyl-1H-1,2,3-triazol [German] [ACD/IUPAC Name]
4-Bromo-5-(3-bromopropyl)-1-methyl-1H-1,2,3-triazole [ACD/IUPAC Name]
4-Bromo-5-(3-bromopropyl)-1-méthyl-1H-1,2,3-triazole [French] [ACD/IUPAC Name]
1699328-81-8 [RN]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 328.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.0±3.0 kJ/mol
Flash Point: 152.2±30.1 °C
Index of Refraction: 1.646
Molar Refractivity: 52.6±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.88
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 26.84
ACD/KOC (pH 5.5): 366.76
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 26.84
ACD/KOC (pH 7.4): 366.76
Polar Surface Area: 31 Å2
Polarizability: 20.9±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 145.0±7.0 cm3

Click to predict properties on the Chemicalize site


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