ChemSpider 2D Image | MFCD00673312 | C17H8D4Cl2N4

MFCD00673312

  • Molecular FormulaC17H8D4Cl2N4
  • Average mass347.235 Da
  • Monoisotopic mass346.069000 Da
  • ChemSpider ID24022585

  • Non-standard isotope - Non-standard isotope

More details:

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

145225-04-3 [RN]
200-659-6 [EINECS]
4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine, 8-chloro-6-(6-chlorophenyl-2,3,4,5-d4)-1-methyl- [ACD/Index Name]
8-Chlor-6-[2-chlor(2H4)phenyl]-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin [German] [ACD/IUPAC Name]
8-Chloro-6-[2-chloro(2H4)phenyl]-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine [ACD/IUPAC Name]
8-Chloro-6-[2-chloro(2H4)phényl]-1-méthyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazépine [French] [ACD/IUPAC Name]
MFCD00673312
8-chloro-6-(2-chloro-3,4,5,6-tetradeuteriophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
8-chloro-6-(2-chloro-3,4,5,6-tetradeuterio-phenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
TRIAZOLAM-D4
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 535.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 277.7±32.9 °C
Index of Refraction: 1.721
Molar Refractivity: 92.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 113.48
ACD/KOC (pH 5.5): 1028.79
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 113.66
ACD/KOC (pH 7.4): 1030.43
Polar Surface Area: 43 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 53.5±7.0 dyne/cm
Molar Volume: 234.9±7.0 cm3

Click to predict properties on the Chemicalize site


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