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Name |
1,3,5-Triazine,2-(4-pyridinyl)- |
EINECS | N/A |
CAS No. | 68847-44-9 | Density | 1.239 g/cm3 |
PSA | 51.56000 | LogP | 0.93360 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H6N4 | Boiling Point | 393.4 °C at 760 mmHg |
Molecular Weight | 158.16 | Flash Point | 195.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-(4-Pyridyl)-s-triazine;2-(4-Pyridinyl)-1,3,5-triazine; |
The 1,3,5-Triazine,2-(4-pyridinyl)-, with the CAS registry number 68847-44-9, is also known as 2-(4-Pyridinyl)-1,3,5-triazine. This chemical's molecular formula is C8H6N4 and molecular weight is 158.16. What's more, its systematic name is 2-Pyridin-4-yl-1,3,5-triazine.
Physical properties of 1,3,5-Triazine,2-(4-pyridinyl)- are: (1)ACD/LogP: 0.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.43; (4)ACD/LogD (pH 7.4): 0.43; (5)ACD/BCF (pH 5.5): 1.26; (6)ACD/BCF (pH 7.4): 1.26; (7)ACD/KOC (pH 5.5): 41.02; (8)ACD/KOC (pH 7.4): 41.04; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 51.56 Å2; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 43.2 cm3; (15)Molar Volume: 127.6 cm3; (16)Polarizability: 17.12×10-24 cm3; (17)Surface Tension: 61.4 dyne/cm; (18)Density: 1.239 g/cm3; (19)Flash Point: 195.8 °C; (20)Enthalpy of Vaporization: 61.81 kJ/mol; (21)Boiling Point: 393.4 °C at 760 mmHg; (22)Vapour Pressure: 4.85E-06 mmHg at 25 °C.
Uses of 1,3,5-Triazine,2-(4-pyridinyl)-: it can be used to produce 1-ethyl-4-(2-sym-triazinyl)pyridinium bromide at 100 °C. It will need reagent bromoethane and solvent dimethylformamide with the reaction time of 6 hours. The yield is about 85%.
You can still convert the following datas into molecular structure:
(1)SMILES: n1cnc(nc1)c2ccncc2
(2)InChI: InChI=1/C8H6N4/c1-3-9-4-2-7(1)8-11-5-10-6-12-8/h1-6H
(3)InChIKey: OAOYLHDSLIUMRV-UHFFFAOYAJ