1,8-Naphthalene dicarboxylic anhydride 1,8-Naphthalene dicarboxylic anhydride

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:81-84-5

MDL number:MFCD00006925

EINECS number:201-380-2

RTECS number:QK5350000

BRN number:153190

PubChem number:24886009

Physical property data

1. Character: light yellow crystal

2. Density (g/mL, 25/4℃): Uncertain

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

4. Melting point (ºC): 274℃

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

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

7. Refractive index: Uncertain

8. Flash point (ºC): 272℃

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. Explosion lower limit (%, V/V): Uncertain

19. Solubility : No boiling point, insoluble in water, ether, benzene, slightly soluble in hot ethanol, soluble in hot acetic acid.

Toxicological data

1. Acute toxicity

Rat caliber LD50: 12340 mg/kg; rat abdominal LD50: 200 mg/kg;

Mouse caliber LD50: 1600 mg/kg ;Mouse abdominal cavity LD50: 400 mg/kg;

Rabbit skin LD50:>2025mg/kg;

Bird caliber LD50: 4100 mg/kg;

Duck caliber LD50:>6180 mg/kg;

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 53.52

2. Molar volume (cm³/mol): 136.6

3. Isotonic specific volume (90.2K ): 388.0

4. Surface tension (dyne/cm): 64.9

5. Polarizability (10^-24cm³)：21.21

Compute chemical data

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

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: None

6. Topological molecule polar surface area 43.4

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 282

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

This product is toxic. Its toxicity is similar to that of phthalic anhydride. It can irritate the eye mucosa and respiratory tract. Oral administration of LD5012340 mg/kg to rats. Contact with eyes and mouth should be avoided. Protective glasses and masks should be worn during operation. If accidentally contaminated, it can be treated as a general irritation.
　

Storage method

Keep sealed in a cool place. Packed in sacks lined with plastic bags to protect against heat, moisture and sun, and stored in a cool, ventilated and dry place. Store and transport according to regulations on toxic and hazardous
dangerous goods.

Synthesis method

Industrial acenaphthene is vaporized with primary air, mixed with secondary air, oxidized to 1,8-naphthalenedicarboxylic anhydride using cobalt as a catalyst, and then cooled.

Purpose

Used as an intermediate for dyes, pesticides, pharmaceuticals and polyester resins.

It is used to prepare fluorescent dyes and is also an important raw material for the synthesis of perylene dyes, pigments and fluorescent whitening agents, such as dispersed fluorescent yellow II and reduced gray BG.