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1,3,5-Triazine,2,4,6-triphenoxy-

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Name

1,3,5-Triazine,2,4,6-triphenoxy-

EINECS 217-644-5
CAS No. 1919-48-8 Density 1.167 g/cm3
PSA 66.36000 LogP 5.24850
Solubility N/A Melting Point 232-235 °C(lit.)
Formula C21H15N3O3 Boiling Point 537.8 °C at 760 mmHg
Molecular Weight 357.368 Flash Point 189.2 °C
Transport Information N/A Appearance off-white to light beige fluffy powder
Safety 24/25 Risk Codes 22
Molecular Structure Molecular Structure of 1919-48-8 (2,4,6-TRIPHENOXY-1,3,5-TRIAZINE) Hazard Symbols IrritantXi
Synonyms

s-Triazine,2,4,6-triphenoxy- (6CI,7CI,8CI);2,4,6-Triphenoxy-1,3,5-triazine;2,4,6-Triphenoxy-s-triazine;NSC 76476;Triphenoxy-s-triazine;Triphenylcyanurate;

Article Data 50

1,3,5-Triazine,2,4,6-triphenoxy- Specification

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.

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