2,4,6-TRIMETHOXY-1,3,5-TRIAZINE

The 1,3,5-Triazine,2,4,6-trimethoxy-, with CAS registry number 877-89-4, belongs to the following product categories: (1)Heterocyclic Compounds; (2)Building Blocks; (3)Heterocyclic Building Blocks; (4)Triazines. It has the systematic name of 2,4,6-trimethoxy-1,3,5-triazine. And the chemical formula of this chemical is C₆H₉N₃O₃. What's more, its EINECS is 212-896-2.

Physical properties of 1,3,5-Triazine,2,4,6-trimethoxy-: (1)ACD/LogP: 0.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.33; (4)ACD/LogD (pH 7.4): 0.33; (5)ACD/BCF (pH 5.5): 1.05; (6)ACD/BCF (pH 7.4): 1.05; (7)ACD/KOC (pH 5.5): 35.97; (8)ACD/KOC (pH 7.4): 35.98; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 66.36 Å²; (13)Index of Refraction: 1.486; (14)Molar Refractivity: 40.56 cm³; (15)Molar Volume: 141.1 cm³; (16)Polarizability: 16.08×10^-24cm³; (17)Surface Tension: 42.2 dyne/cm; (18)Density: 1.212 g/cm³; (19)Flash Point: 103.1 °C; (20)Enthalpy of Vaporization: 49.91 kJ/mol; (21)Boiling Point: 281.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00617 mmHg at 25°C.

Preparation: this chemical can be prepared by methanol and 2,4,6-tris-trinitromethyl-[1,3,5]triazine. This reaction will need reagent Na. The reaction time is 1 hour(s). The yield is about 75%.

When you are using this chemical, please be cautious about it as the following:
The 1,3,5-Triazine,2,4,6-trimethoxy- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1nc(OC)nc(OC)n1)C
(2)InChI: InChI=1/C6H9N3O3/c1-10-4-7-5(11-2)9-6(8-4)12-3/h1-3H3
(3)InChIKey: DFUGJTBMQKRCPI-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C6H9N3O3/c1-10-4-7-5(11-2)9-6(8-4)12-3/h1-3H3
(5)Std. InChIKey: DFUGJTBMQKRCPI-UHFFFAOYSA-N