Basic information
- Name:
Tris(2,3-dibromopropyl) isocyanurate
- CAS No.:
52434-90-9
- Molecular Structure:
- Formula:
- C12H15Br6N3O3
- Molecular Weight:
- 728.69
- 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
- Appearance:
- White powder
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-37/39 Details
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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 
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