CAS No.52434-90-9,Hexahydro-1,3,5-tris(2,3-dibromopropyl)-1,3,5-triazine-2,4,6-trione Suppliers

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Basic Information

Molecular Structure:
CAS No.:	52434-90-9
Name:	Hexahydro-1,3,5-tris(2,3-dibromopropyl)-1,3,5-triazine-2,4,6-trione
Article Data:	2

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:	5.07mg/L at 20℃
Appearance:	White powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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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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 Irritant Xi
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