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.