-
Name
2,4,6-TRIS(TRICHLOROMETHYL)-1,3,5-TRIAZINE
- EINECS
- CAS No. 6542-67-2
- Article Data5
- CAS DataBase
- Density 1.941 g/cm3
- Solubility
- Melting Point
- Formula C6Cl9N3
- Boiling Point 375.6 °C at 760 mmHg
- Molecular Weight 433.163
- Flash Point 212.7 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms s-Triazine,2,4,6-tris(trichloromethyl)- (6CI,7CI,8CI);2,4,6-(trichloromethyl)-triazine;2,4,6-Trichloromethyl-s-triazine;2,4,6-Tris(trichloromethyl)-1,3,5-triazine;2,4,6-Tris(trichloromethyl)-s-triazine;2,4,6-Tris(trichloromethyl)triazine;Acetonitrile, trichloro-, trimer;NSC 26769;TAZ 101;Triazine S;Tris(trichloromethyl)-s-triazine;Tris(trichloromethyl)-sym-triazine;
- PSA 38.67000
- LogP 5.35170
1,3,5-Triazine,2,4,6-tris(trichloromethyl)- Specification
The 1,3,5-Triazine,2,4,6-tris(trichloromethyl)-, with the CAS registry number 6542-67-2, is also known as 2,4,6-Tris(trichloromethyl)-S-triazine. This chemical's molecular formula is C6Cl9N3 and molecular weight is 433.16. What's more, its systematic name is 2,4,6-Tris(trichloromethyl)-1,3,5-triazine.
Physical properties of 1,3,5-Triazine,2,4,6-tris(trichloromethyl)- are: (1)ACD/LogP: 4.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.68; (4)ACD/LogD (pH 7.4): 4.68; (5)ACD/BCF (pH 5.5): 2109.02; (6)ACD/BCF (pH 7.4): 2109.02; (7)ACD/KOC (pH 5.5): 8336.3; (8)ACD/KOC (pH 7.4): 8336.3; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 38.67 Å2; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 77.63 cm3; (15)Molar Volume: 223 cm3; (16)Polarizability: 30.77×10-24cm3; (17)Surface Tension: 60.3 dyne/cm; (18)Density: 1.941 g/cm3; (19)Flash Point: 212.7 °C; (20)Enthalpy of Vaporization: 59.87 kJ/mol; (21)Boiling Point: 375.6 °C at 760 mmHg; (22)Vapour Pressure: 1.67E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1(=NC(=NC(=N1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
(2)InChI: InChI=1S/C6Cl9N3/c7-4(8,9)1-16-2(5(10,11)12)18-3(17-1)6(13,14)15
(3)InChIKey: DXUMYHZTYVPBEZ-UHFFFAOYSA-N
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