3-nitrophthalic acid

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:603-11-2

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.