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CAS No.: | 30363-03-2 |
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Name: | 2,4,6-TRIS(4-BROMOPHENYL)-1,3,5-TRIAZINE |
Article Data: | 47 |
Molecular Structure: | |
Formula: | C21H12Br3N3 |
Molecular Weight: | 546.058 |
Synonyms: | s-Triazine,2,4,6-tris(p-bromophenyl)- (8CI);2,4,6-Tris(4-bromophenyl)-1,3,5-triazine;2,4,6-Tris(p-bromophenyl)triazine; |
Density: | 1.741g/cm3 |
Melting Point: | >300 °C(Solv: chloroform (67-66-3)) |
Boiling Point: | 633.4 °C at 760 mmHg |
Flash Point: | 336.9 °C |
PSA: | 38.67000 |
LogP: | 7.16010 |
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The 1,3,5-Triazine,2,4,6-tris(4-bromophenyl)-, with the CAS registry number 30363-03-2, is also known as 2,4,6-Tris(p-bromophenyl)-s-triazine. This chemical's molecular formula is C21H12Br3N3 and molecular weight is 546.0521. Its systematic name is called 2,4,6-tris(4-bromophenyl)-1,3,5-triazine.
Physical properties of 1,3,5-Triazine,2,4,6-tris(4-bromophenyl)-: (1)ACD/LogP: 8.36; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 8.36; (4)ACD/LogD (pH 7.4): 8.36; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 845517.5; (8)ACD/KOC (pH 7.4): 845519.31; (9)#H bond acceptors: 3; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.671; (12)Molar Refractivity: 117.37 cm3; (13)Molar Volume: 313.5 cm3; (14)Surface Tension: 56.9 dyne/cm; (15)Density: 1.741 g/cm3; (16)Flash Point: 336.9 °C; (17)Enthalpy of Vaporization: 90.22 kJ/mol; (18)Boiling Point: 633.4 °C at 760 mmHg; (19)Vapour Pressure: 2.93E-15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc4ccc(c1nc(nc(n1)c2ccc(Br)cc2)c3ccc(Br)cc3)cc4
(2)InChI: InChI=1/C21H12Br3N3/c22-16-7-1-13(2-8-16)19-25-20(14-3-9-17(23)10-4-14)27-21(26-19)15-5-11-18(24)12-6-15/h1-12H
(3)InChIKey: WZYVDGDZBNQVCF-UHFFFAOYAM