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

The 1,3,5-Triazine,2,4,6-triphenoxy-, with the CAS registry number 1919-48-8, is also known as s-Triazine, 2,4,6-triphenoxy-. It belongs to the product categories of Building Blocks; Heterocyclic Building Blocks; Triazines. Its EINECS registry number is 217-644-5. This chemical's molecular formula is C₂₁H₁₅N₃O₃ and molecular weight is 357.36. Its IUPAC name is called 2,4,6-triphenoxy-1,3,5-triazine. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes. You must avoid contacting it with skin and eyes.

Physical properties of 1,3,5-Triazine,2,4,6-triphenoxy-: (1)ACD/LogP: 5.59; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.59; (4)ACD/LogD (pH 7.4): 5.59; (5)ACD/BCF (pH 5.5): 10356.18; (6)ACD/BCF (pH 7.4): 10356.19; (7)ACD/KOC (pH 5.5): 26041.68; (8)ACD/KOC (pH 7.4): 26041.71; (9)#H bond acceptors: 6; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.629; (12)Molar Refractivity: 99.85 cm³; (13)Molar Volume: 280.8 cm³; (14)Surface Tension: 54.4 dyne/cm; (15)Density: 1.272 g/cm³; (16)Flash Point: 189.2 °C; (17)Enthalpy of Vaporization: 78.42 kJ/mol; (18)Boiling Point: 537.8 °C at 760 mmHg; (19)Vapour Pressure: 4.3E-11 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,4,6-trichloro-[1,3,5]triazine and phenol; potassium salt. This reaction is a kind of Substitution. It will need reagents Bu₄NBr, dibenzo-(18)-crown-6 and solvents H₂O, CHCl₃. The reaction time is 0.4 hours. The yield is about 95%.

Uses of 1,3,5-Triazine,2,4,6-triphenoxy-: it can be used to produce 2-hydrazino-4,6-diphenoxy-[1,3,5]triazine. This reaction will need reagent NH₂NH₂•H₂O and solvent CH₂Cl₂. The yield is about 84%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)OC2=NC(=NC(=N2)OC3=CC=CC=C3)OC4=CC=CC=C4
(2)InChI: InChI=1S/C21H15N3O3/c1-4-10-16(11-5-1)25-19-22-20(26-17-12-6-2-7-13-17)24-21(23-19)27-18-14-8-3-9-15-18/h1-15H
(3)InChIKey: IYDYVVVAQKFGBS-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
quail	LD50	oral	> 316mg/kg (316mg/kg)		Ecotoxicology and Environmental Safety. Vol. 6, Pg. 149, 1982.