ChemSpider 2D Image | 1,2,3-Tribromo-5-isocyanatobenzene | C7H2Br3NO

1,2,3-Tribromo-5-isocyanatobenzene

  • Molecular FormulaC7H2Br3NO
  • Average mass355.809 Da
  • Monoisotopic mass352.768616 Da
  • ChemSpider ID60781990

More details:

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

1,2,3-Tribrom-5-isocyanatobenzol [German] [ACD/IUPAC Name]
1,2,3-Tribromo-5-isocyanatobenzene [ACD/IUPAC Name]
1,2,3-Tribromo-5-isocyanatobenzène [French] [ACD/IUPAC Name]
Benzene, 1,2,3-tribromo-5-isocyanato- [ACD/Index Name]
3,4,5-Tribromophenylisocyanate
52114-87-1 [RN]
MFCD18400087

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

Density: 2.3±0.1 g/cm3
Boiling Point: 364.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.1±3.0 kJ/mol
Flash Point: 174.3±27.9 °C
Index of Refraction: 1.676
Molar Refractivity: 58.8±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 4.77
ACD/BCF (pH 5.5): 2494.62
ACD/KOC (pH 5.5): 9400.93
ACD/LogD (pH 7.4): 4.77
ACD/BCF (pH 7.4): 2494.62
ACD/KOC (pH 7.4): 9400.93
Polar Surface Area: 29 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 55.0±7.0 dyne/cm
Molar Volume: 156.4±7.0 cm3

Click to predict properties on the Chemicalize site


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