ChemSpider 2D Image | 1,3,5-Tris(3-isocyanato-4-methylphenyl)-1,3,5-triazinane-2,4,6-trione | C27H18N6O6

1,3,5-Tris(3-isocyanato-4-methylphenyl)-1,3,5-triazinane-2,4,6-trione

  • Molecular FormulaC27H18N6O6
  • Average mass522.468 Da
  • Monoisotopic mass522.128784 Da
  • ChemSpider ID105290

More details:

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

Toluene diisocyanate isocyanurate
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(3-isocyanato-4-methylphenyl)- [ACD/Index Name]
1,3,5-Tris(3-isocyanato-4-methylphenyl)-1,3,5-triazinan-2,4,6-trion [German] [ACD/IUPAC Name]
1,3,5-Tris(3-isocyanato-4-methylphenyl)-1,3,5-triazinane-2,4,6-trione [ACD/IUPAC Name]
1,3,5-Tris(3-isocyanato-4-méthylphényl)-1,3,5-triazinane-2,4,6-trione [French] [ACD/IUPAC Name]
(2,4,6-trioxotriazine-1,3,5(2H,4H,6H)-triyl)tris(methyl-m-phenylene) isocyanate
107547-74-0 [RN]
247-840-6 [EINECS]
26603-40-7 [RN]
76483-87-9 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 674.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 361.9±31.5 °C
Index of Refraction: 1.672
Molar Refractivity: 142.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 4.81
ACD/LogD (pH 5.5): 4.84
ACD/BCF (pH 5.5): 2814.11
ACD/KOC (pH 5.5): 10247.88
ACD/LogD (pH 7.4): 4.84
ACD/BCF (pH 7.4): 2814.11
ACD/KOC (pH 7.4): 10247.88
Polar Surface Area: 149 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 58.4±7.0 dyne/cm
Molar Volume: 380.0±7.0 cm3

Click to predict properties on the Chemicalize site


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