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.