1,8-Naphthalimide 1,8-Naphthalimide

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:81-83-4

MDL number:MFCD00006920

EINECS number:201-379-7

RTECS number:None

BRN number:153150

PubChem number:24897515

Physical property data

1. Appearance: Off-white to white powder 2. Density (g/mL, 25/4℃): Uncertain

3. Relative vapor density (g/mL, air=1): Uncertain

4. Melting point (ºC): 299

5. Boiling point (ºC, normal pressure): Uncertain

6. Boiling point (ºC, 5.2kPa): Uncertain

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7. Refractive index: Uncertain

8. Flash point (ºC): Uncertain

9. Specific rotation (º): Uncertain

10. Autoignition point or ignition temperature (ºC): Uncertain

11. Vapor pressure (kPa, 25ºC): Uncertain

12. Saturated vapor pressure ( kPa, 60ºC): Uncertain

13. Heat of combustion (KJ/mol): Uncertain

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. Log value of oil-water (octanol/water) partition coefficient: Uncertain

17. Explosion upper limit (%, V/ V): Uncertain

18. Lower explosion limit (%, V/V): Uncertain

19. Solubility: Uncertain

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 55.26

2. Molar volume (cm³/mol): 141.6

3. Isotonic specific volume (90.2K ): 395.9

4. Surface tension (dyne/cm): 61.0

5. Polarizability (10^-24cm³): 21.90

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 2

6. Topological molecule polar surface area 46.2

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 285

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

None yet

Storage method

This product should be sealed and stored in a dry and dark place.

Synthesis method

Obtained from the amination of 1,8-naphthalenedicarboxylic acid. Add 290kg of 1,8-naphthalenedicarboxylic acid; 414kg of 20% ammonia water and 414kg of water into the reaction pot, heat to 100-110°C, and the pressure is 0.2-0.25MPa. Keep warm for 5 hours. Then cool to below 40°C, filter and wash to obtain 242kg of 1,8-naphthalenedicarboximide.

Purpose

Dye intermediates. Used to synthesize perylene dyes and pigments, such as reduced gray BG, reduced brilliant orange 3RK, soluble anthracene brilliant orange IRK and fluorescent whitening agents, etc. Also used in the preparation of pesticides.