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CAS No.: | 42333-78-8 |
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Name: | 2,4,6-TRI(4-PYRIDYL)-1,3,5-TRIAZINE |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C18H12N6 |
Molecular Weight: | 312.333 |
Synonyms: | 1,3,5-Tris(4-pyridyl)-2,4,6-triazine;2,4,6-Tri(4-pyridyl)-1,3,5-triazine;2,4,6-Tri(4-pyridyl)-s-triazine;2,4,6-Tri-4-pyridyltriazine;2,4,6-Tris(4-pyridinyl)-1,3,5-triazine;2,4,6-Tris(4-pyridyl)-1,3,5-triazine;2,4,6-Tris(4-pyridyl)triazine;NSC 250957;Tri(4-pyridyl)triazine;Tris(4-pyridyl)-1,3,5-triazine;Tris(4-pyridyl)-s-triazine;s-Tri(4-pyridyl)triazine; |
Density: | 1.276 g/cm3 |
Melting Point: | 372-374 °C |
Boiling Point: | 642.7 °C at 760 mmHg |
Flash Point: | 300.3 °C |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 77.34000 |
LogP: | 3.05760 |
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The 2,4,6-Tri(4-pyridinyl)-1,3,5-triazine, with the CAS registry number 42333-78-8, is also known as 1,3,5-Tris(4-pyridyl)-2,4,6-triazine. This chemical's molecular formula is C18H12N6 and molecular weight is 312.33. What's more, its systematic name is 2,4,6-Tri(pyridin-4-yl)-1,3,5-triazine.
Physical properties of 2,4,6-Tri(4-pyridinyl)-1,3,5-triazine are: (1)ACD/LogP: 1.07; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 77.34 Å2; (7)Index of Refraction: 1.644; (8)Molar Refractivity: 88.57 cm3; (9)Molar Volume: 244.6 cm3; (10)Polarizability: 35.11×10-24cm3; (11)Surface Tension: 64.1 dyne/cm; (12)Density: 1.276 g/cm3; (13)Flash Point: 300.3 °C; (14)Enthalpy of Vaporization: 91.4 kJ/mol; (15)Boiling Point: 642.7 °C at 760 mmHg; (16)Vapour Pressure: 1.04E-15 mmHg at 25°C.
Preparation: this chemical can be prepared by isonicotinonitrile at the temperature of 200 °C. This reaction will need reagents potassium hydroxide, 18-crown-6 and solvent decahydronaphthalene with the reaction time of 3 hours. The yield is about 74%.
When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed and irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CN=CC=C1C2=NC(=NC(=N2)C3=CC=NC=C3)C4=CC=NC=C4
(2)InChI: InChI=1S/C18H12N6/c1-7-19-8-2-13(1)16-22-17(14-3-9-20-10-4-14)24-18(23-16)15-5-11-21-12-6-15/h1-12H
(3)InChIKey: CBMYFVSIIYILRH-UHFFFAOYSA-N