CAS No.898-22-6,TRIETHYL 1 3 5-TRIAZINE-2 4 6-TRICARBOX& Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	898-22-6
Name:	TRIETHYL 1 3 5-TRIAZINE-2 4 6-TRICARBOX&
Article Data:	19

Formula:	C₁₂H₁₅N₃O₆
Molecular Weight:	297.268
Synonyms:	s-Triazine-2,4,6-tricarboxylic acid, triethyl ester(6CI,7CI,8CI);2,4,6-Tris(ethoxycarbonyl)-1,3,5-triazine;1,3,5-Triazine-2,4,6-tricarboxylicacid, triethyl ester (9CI);
Density:	1.279 g/cm³
Melting Point:	170-174 °C(lit.)
Boiling Point:	451.1 °C at 760 mmHg
Flash Point:	226.6 °C
Safety:	22-24/25
PSA:	117.57000
LogP:	0.40170

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Specification

The 1,3,5-Triazine-2,4,6-tricarboxylicacid, 2,4,6-triethyl ester, with the CAS registry number 898-22-6, is also known as 2,4,6-Tris(ethoxycarbonyl)-1,3,5-triazine. It belongs to the product categories of Building Blocks; Heterocyclic Building Blocks; Triazines. This chemical's molecular formula is C₁₂H₁₅N₃O₆ and molecular weight is 297.26. What's more, its systematic name is triethyl 1,3,5-triazine-2,4,6-tricarboxylate. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from light. You should not breathe dust. When using it, you must avoid contact with eyes.

Physical properties of 1,3,5-Triazine-2,4,6-tricarboxylicacid, 2,4,6-triethyl ester are: (1)ACD/LogP: 0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.77; (4)ACD/LogD (pH 7.4): 0.77; (5)ACD/BCF (pH 5.5): 2.27; (6)ACD/BCF (pH 7.4): 2.27; (7)ACD/KOC (pH 5.5): 62.54; (8)ACD/KOC (pH 7.4): 62.54; (9)#H bond acceptors: 9; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 117.57 Å²; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 69.74 cm³; (15)Molar Volume: 232.3 cm³; (16)Polarizability: 27.64×10^-24cm³; (17)Surface Tension: 51.9 dyne/cm; (18)Density: 1.279 g/cm³; (19)Flash Point: 226.6 °C; (20)Enthalpy of Vaporization: 71.01 kJ/mol; (21)Boiling Point: 451.1 °C at 760 mmHg; (22)Vapour Pressure: 2.5E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1nc(nc(n1)C(=O)OCC)C(=O)OCC
(2)Std. InChI: InChI=1S/C12H15N3O6/c1-4-19-10(16)7-13-8(11(17)20-5-2)15-9(14-7)12(18)21-6-3/h4-6H2,1-3H3
(3)Std. InChIKey: LKNPNZKIOSOWES-UHFFFAOYSA-N