3-Nitrophthalic acid
Structural formula
| Business number | 067L |
|---|---|
| Molecular formula | C8H5O6N |
| Molecular weight | 211.13 |
| label |
m-Nitrophthalic acid, 3-nitro-1,2-benzenedicarboxylic acid, 3-Nitrophthalic acid, 3-Nitrophthalic acid, 3-Nitrophthalic acid, 3-Nitro-1,2-benzenedicarboxylic acid, O2NC6H3-1,2-(CO2H)2 |
Numbering system
CAS number:603-11-2
MDL number:MFCD00007138
EINECS number:210-030-8
RTECS number:None
BRN number:2054269
PubChem number:24886604
Physical property data
1. Physical property data
1. Character: light yellow crystal.
2. Melting point213-216 ℃ (decomposition).
3. Solubility Soluble in hot water, methanol, ethanol, slightly soluble in ether, insoluble in chloroform, carbon tetrachloride, carbon disulfide, and benzene. SPAN>
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
None yet
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 6
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 120
7. Number of heavy atoms: 15
8. Surface charge: 0
9. Complexity: 296
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. Production Method: Add phthalic anhydride into concentrated sulfuric acid, add water vapor while stirring and heat to 80℃, add fuming nitric acid dropwise, and maintain the reaction temperature100-110℃, plus Bi, in110Heating above ℃2h, leave overnight Then pour it into water and filter. The filter cake is recrystallized with water to obtain 3-Nitrophthalic acid. The yield is about 30%.
Purpose
2. Use : Organic synthesis intermediates.
“>110Heating above ℃2h, place it overnight, pour it into water, and filter. The filter cake is recrystallized with water. Get3-Nitrophthalic acid. The yield is about 30%.
Purpose
2. Use : Organic synthesis intermediates.