Triallyl cyanurate 2,4,6-Trisallyloxy-1,3,5-triazine

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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.