Structural formula
Business number | 02KG |
---|---|
Molecular formula | C12H15N3O3 |
Molecular weight | 249.27 |
label |
1,3,5-triallyl cyanurate, Triallyl cyanurate, Cyanuric Acid Triallyl Ester |
Numbering system
CAS number:101-37-1
MDL number:MFCD00006049
EINECS number:202-936-7
RTECS number:XZ2080000
BRN number:235560
PubChem number:24857438
Physical property data
1. Properties: colorless low melting point solid
2. Density (g/mL, 20℃): 1.11
3. Relative vapor density (g/mL, air =1): Undetermined
4. Melting point (ºC): 26-28
5. Boiling point (ºC, normal pressure): 162
6. Boiling point (ºC, KPa): Not determined
7. Refractive index: 1.5037-1.5049
8. Flash point (ºC): Not determined
9. Specific rotation (º): Not determined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (mmHg, 25ºC): Not determined
12. Saturated vapor pressure (kPa, 25ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature ( ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility: Soluble in ethanol, acetone and hydrocarbons.
Toxicological data
Acute toxicity: Rat oral LD50: 590mg/kg; Rat inhalation LC50: >333mg/m3/1H; Mouse intravenous injection LD50: 180mg/kg; Rabbit skin contact LD50: 8600mg/kg;
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 67.53
2. Molar volume (cm3/mol): 225.4
3. Isotonic specific volume (90.2K ): 565.4
4. Surface tension (dyne/cm): 39.5
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 26.77
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.8
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 6
4. Number of rotatable chemical bonds: 9
5. Mutator variationNumber of solids: None
6. Topological molecule polar surface area 66.4
7. Number of heavy atoms: 18
8. Surface charge: 0
9. Complexity: 219
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. The number of uncertain stereocenters of atoms: 0
13. The number of determined stereocenters of chemical bonds: 0
14. The number of uncertain stereocenters of chemical bonds: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
None yet
Synthesis method
Prepared from the reaction of cyanuric chloride and allyl alcohol under alkali catalysis.
Purpose
As a cross-linking agent and curing agent, it can be used in PMMA, polyolefins, etc. to improve their thermal and oxygen stability and mechanical strength.