Di-o-tolylguanidine CAS97-39-2

Details:

Density 1.1± 0.1g /cm3

Boiling point 396.1±45.0 °C at 760 mmHg

Melting point 176-178 °C(lit.)

Molecular formula C15H17N3

Molecular weight 239.32

Flash point 193.3±28.7 °C

Accurate mass 239.142242

PSA 47.91000

LogP is 3.77

Appearance properties white powder

Vapor pressure 0.0±0.9 mmHg at 25°C

Refractive index 1.585

Storage condition

Store in a cool, ventilated warehouse. Keep away from fire and heat. Keep the container sealed. Should be stored separately from oxidizer, do not mix storage. Equipped with the corresponding variety and quantity of fire equipment. The storage area should be equipped with leak emergency treatment equipment and suitable holding materials.

 

stability

Avoid contact with strong oxidants.

 

This product has low toxicity, slight bitter taste and no odor.

 

The vulcanization temperature, especially higher than the critical temperature, is very active, and the vulcanization flatness is good.

 

Soluble in chloroform, acetone, ethanol, slightly soluble in benzene, insoluble in gasoline and water.

 

Molecular structure

1. Molar refractive index: 74.22

 

2, molar volume (cm3/mol) : 221.5

 

3, equal volume (90.2K) : 555.5

 

4. Surface tension (dyne/cm) : 38.5

 

5. Dielectric constant:

 

6. Dipole distance (10-24cm3) :

 

7. Polarization: 29.42

 

Computational chemistry

1. Reference value for calculating hydrophobic parameters (XlogP) :3.1

 

2. Number of hydrogen bond donors :2

 

3. Number of hydrogen bond receptors :1

 

4. Number of rotatable bonds :3

 

5. Number of tautomers :2

 

6. Topological molecular polar surface area 50.4

 

7. Number of heavy atoms :18

 

8. Surface charge :0

 

9. Complexity :288

 

10. Number of isotope atoms :0

 

11. Determine the number of primary constitutive centers :0

 

12. Number of indeterminate atomic orthotropic centers :0

 

13. Determine the number of chemical bond constitutive centers :0

 

14. Number of uncertain bond constitutive centers :0

 

15. Number of covalent bond units :1