ChemSpider 2D Image | 1,3,5-Tris(2,3-dibromopropyl)-1,3,5-triazinane-2,4,6-trione | C12H15Br6N3O3

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

  • Molecular FormulaC12H15Br6N3O3
  • Average mass728.690 Da
  • Monoisotopic mass722.621338 Da
  • ChemSpider ID93567

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

1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2,3-dibromopropyl)- [ACD/Index Name]
1,3,5-Tris(2,3-dibromopropyl)-1,3,5-triazinane-2,4,6-trione [ACD/IUPAC Name]
1,3,5-Tris(2,3-dibromopropyl)-1,3,5-triazinane-2,4,6-trione [French] [ACD/IUPAC Name]
1,3,5-Tris(2,3-dibrompropyl)-1,3,5-triazinan-2,4,6-trion [German] [ACD/IUPAC Name]
257-913-4 [EINECS]
[52434-90-9]
1,3,5-Tris(2,3-dibromopropyl) isocyanurate
1,3,5-Tris(2,3-dibroMopropyl)- S-triazine-2,4,6-trione
1,3,5-TRIS(2,3-DIBROMOPROPYL)-1,3,5-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE
4-(2-chloropropan-2-yl)-1-methylcyclohexene
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

269999_ALDRICH [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.3±0.1 g/cm3
Boiling Point: 618.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.7±3.0 kJ/mol
Flash Point: 328.0±31.5 °C
Index of Refraction: 1.646
Molar Refractivity: 113.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 568.06
ACD/KOC (pH 5.5): 3259.85
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 568.06
ACD/KOC (pH 7.4): 3259.85
Polar Surface Area: 61 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 65.6±3.0 dyne/cm
Molar Volume: 311.6±3.0 cm3

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