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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 | Hazard Symbols | Xi | |
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 |
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. |