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52434-90-9

Basic Information
CAS No.: 52434-90-9
Name: Tris(2,3-dibromopropyl) isocyanurate
Article Data: 2
Cas Database
Molecular Structure:
Molecular Structure of 52434-90-9 (Tris(2,3-dibromopropyl) isocyanurate)
Formula: C12H15Br6N3O3
Molecular Weight: 728.693
Synonyms: 1,3,5-Tris(2,3-dibromopropyl)isocyanurate;1,3,5-Tris(2,3-dibromopropyl)-2,4,6-trioxohexahydro-s-triazine;1,3,5-Tris(2,3-dibromopropyl)-2,4,6-trioxohexahydrotriazine;Tri(2,3-dibromopropyl)isocyanurate;
EINECS: 257-913-4
Density: 2.338 g/cm3
Melting Point: 110 °C
Boiling Point: 618.8 °C at 760 mmHg
Flash Point: 328 °C
Solubility: N/A
Appearance: White powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37/39
Transport Information: N/A
PSA: 66.00000
LogP: 2.64690
Synthetic route
1025-15-6

triallyl isocyanurate

52434-90-9

1,3,5-tris(β,γ-dibromopropyl)-2,4,6-trioxo-1,3,5-triazine

Conditions
ConditionsYield
With tetraethylammonium bromide; bromine In dichloromethane at 60℃; for 20h; Reagent/catalyst; Solvent; Temperature;99.5%
52434-90-9

1,3,5-tris(β,γ-dibromopropyl)-2,4,6-trioxo-1,3,5-triazine

vanadocene

bis(η5-cyclopentadienyl)vanadium(IV) dibromide

Conditions
ConditionsYield
In toluene byproducts: trially isocyanurate; V-compd. to triazine 3:1, evacuated ampule, keeping at room temperature (50-100 h) or at 120 to 130°C (15-20 h); vacuum filtration; elem. anal., ESR;80%
52434-90-9

1,3,5-tris(β,γ-dibromopropyl)-2,4,6-trioxo-1,3,5-triazine

vanadocene

vanadocene monobromide

Conditions
ConditionsYield
In toluene byproducts: triallyl isocyanurate; V-compd. to triazine 6:1, evacuated ampule, keeping at room temperature (50-100 h) or at 120 to 130°C (15-20 h); vacuum filtration; elem. anal., ESR;60%
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    Name: tris(2,3-dibromopropyl) isocyanurate CAS: 52434-90-9 Molecular Formula: C12H15Br6N3O3 Molecular Weight: 728.69 Application:Fine chemical

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  • Tris(2,3-dibromopropyl) isocyanurate

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    Tris(2,3-dibromopropyl) isocyanurate

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  • Hexahydro-1,3,5-tris(2,3-dibromopropyl)-1,3,5-triazine-2,4,6-trione

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    52434-90-9

    Tris(2,3-dibromopropyl) isocyanurate

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  • Tris(2,3-dibromopropyl) isocyanurate

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    52434-90-9

    Tris(2,3-dibromopropyl) isocyanurate

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  • tris(2,3-dibromopropyl) isocyanurate CAS NO.52434-90-9

  • Casno:

    52434-90-9

    tris(2,3-dibromopropyl) isocyanurate CAS NO.52434-90-9

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Chemistry

IUPAC Name: 1,3,5-tris(2,3-Dibromopropyl)-1,3,5-triazinane-2,4,6-trione 
Synonyms of Tris(2,3-dibromopropyl) isocyanurate (CAS NO.52434-90-9) : 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2,3-dibromopropyl)- ; 1,3,5-tris(2,3-Dibromopropyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione ; Hexahydro-1,3,5-tris(2,3-dibromopropyl)-1,3,5-triazine-2,4,6-trione ; Tris(2,3-dibromopropyl) isocyanurate 
CAS NO:52434-90-9
Molecular Formula:C12H15Br6N3O3
Molecular Weight :728.6898
Molecular Structure :
EINECS: 257-913-4 
H bond acceptors: 6
H bond donors: 0
Freely Rotating Bonds: 9
Polar Surface Area: 60.93 Å2
Index of Refraction: 1.645
Molar Refractivity: 113.07 cm3
Surface Tension: 65.5 dyne/cm 
Density: 2.338 g/cm3 
Flash Point: 328 °C
Melting Point: 110 °C  
Enthalpy of Vaporization: 91.74 kJ/mol 
Boiling Point: 618.8 °C at 760 mmHg 
Vapour Pressure: 3.07E-15 mmHg at 25°C 
SMILES: BrC(CBr)CN1C(=O)N(C(=O)N(C1=O)CC(Br)CBr)CC(Br)CBr
InChI: InChI=1/C12H15Br6N3O3/c13-1-7(16)4-19-10(22)20(5-8(17)2-14)12(24)21(11(19)23)6-9(18)3-15/h7-9H,1-6H2
InChIKey: NZUPFZNVGSWLQC-UHFFFAOYAF
Std. InChI: InChI=1S/C12H15Br6N3O3/c13-1-7(16)4-19-10(22)20(5-8(17)2-14)12(24)21(11(19)23)6-9(18)3-15/h7-9H,1-6H2
Std. InChIKey: NZUPFZNVGSWLQC-UHFFFAOYSA-N

Safety Profile

Safety information of  Tris(2,3-dibromopropyl) isocyanurate (CAS NO.52434-90-9):
Hazard Codes IrritantXi
Risk Statements 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S37/39: Wear suitable gloves and eye/face protection.
WGK Germany: 2