2-nitromesitylene

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:603-71-4

mdl number:none

einecs number:210-054-9

rtecs number:none

brn number:none

pubchem id:none

physical property data

physical property data;
1. character: light yellow prismatic crystal

2. melting point (℃):44℃

3. boiling point (ºc):255℃

toxicological data

none

ecological data

3. ecological data:

1. other harmful effects: this substance may be harmful to the environment and should be harmful to water bodies. give special attention.

molecular structure data

5. molecular property data:

1、 molar refractive index:47.27

2、 molar volume (m³/mol): 150.1

3、 isotonic specific volume (90.2k):375.6

4、 surface tension (dyne/cm):39.2

5, polarizability (10^-24cm³ ):18.74

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: 2

4. number of rotatable chemical bonds: 0

5. number of tautomers: none

6. topological molecule polar surface area 45.8

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 164

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

properties and stability:

no decomposition products may occur under normal temperatures and pressures.

storage method

storage:

seal the secret container and store it in a sealed main container in a cool place dry position.

synthesis method

1. introduction to production methods

mix mesitylene and acetic anhydride and cool to10℃below, add a solution of fuming nitric acid, glacial acetic acid, and acetic anhydride while stirring, and maintain15-20℃nitration reaction is carried out, and the nitration product is separated and separated into approximately 75%obtained in yield2-nitromesitylene.

purpose

2. purpose

organic synthesis intermediates.