BDMAEE

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
• 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.