ChemSpider 2D Image | 2',3,5-Trinitro-2,3-dihydro-2'H-1,4'-bi-1,2,3-triazole | C4H3N9O6

2',3,5-Trinitro-2,3-dihydro-2'H-1,4'-bi-1,2,3-triazole

  • Molecular FormulaC4H3N9O6
  • Average mass273.123 Da
  • Monoisotopic mass273.020630 Da
  • ChemSpider ID32741729

More details:

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

1H-1,2,3-Triazole, 2,3-dihydro-3,5-dinitro-1-(2-nitro-2H-1,2,3-triazol-4-yl)- [ACD/Index Name]
2',3,5-Trinitro-2,3-dihydro-2'H-1,4'-bi-1,2,3-triazol [German] [ACD/IUPAC Name]
2',3,5-Trinitro-2,3-dihydro-2'H-1,4'-bi-1,2,3-triazole [ACD/IUPAC Name]
2',3,5-Trinitro-2,3-dihydro-2'H-1,4'-bi-1,2,3-triazole [French] [ACD/IUPAC Name]
1-N-(2-nitrotriazolo) 3,5-dinitro-triazole
1-N-(2-nitrotriazolyl) 3,5-dinitro-triazole
NTDNT

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

Density: 2.7±0.1 g/cm3
Boiling Point: 542.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 282.0±32.9 °C
Index of Refraction: 2.076
Molar Refractivity: 53.9±0.5 cm3
#H bond acceptors: 15
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.57
ACD/LogD (pH 5.5): -1.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.90
ACD/LogD (pH 7.4): -1.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.90
Polar Surface Area: 187 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 223.8±7.0 dyne/cm
Molar Volume: 102.7±7.0 cm3

Click to predict properties on the Chemicalize site


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