2-Nitromesitylene
Structural formula
| Business number | 0680 |
|---|---|
| Molecular formula | C9H11NO2 |
| Molecular weight | 165.19 |
| label |
2-Nitrotrimethylbenzene |
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.