2-Naphthoic acid 2-Naphthoic 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:93-09-4

MDL number:MFCD00004101

EINECS number:202-217-8

RTECS number:QL1050000

BRN number:972039

PubChem number:24886079

Physical property data

1. Character: white flake or needle crystal

2. Relative density (25℃, 4℃): 1.077¹⁰⁰

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

4. Melting point (ºC): 185

5. Boiling point (ºC, normal pressure): >300

6. Gas phase standard combustion heat (enthalpy) (kJ·mol^-1): -5239.5

7. Gas phase standard claimed heat (enthalpy) ( kJ·mol^-1): -232.5

8. Flash point (ºC): 205

9. Crystalline phase standard heat of combustion (enthalpy) (kJ·mol^-1): -5125.9

12. Crystal phase standard claims heat (enthalpy) (kJ·mol^-1): – 346.1

11. Vapor pressure (kPa, 25ºC): Not determined

12. Saturated vapor pressure (kPa, 60ºC): Not determined

13. Combustion Heat (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

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

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

18. Explosion lower limit ( %, V/V): Undetermined

19. Solubility: Soluble in ether and alcohol, slightly soluble in hot water.

Toxicological data

Acute toxicity:

Main irritant effects:

On skin: Irritation to skin and mucous membranes.

On the eyes: effects of irritation.

Sensitization: No known sensitizing effects.

Ecological data

General remarks

Water hazard class 1 (German Regulation) (self-assessment via list) The substance is slightly hazardous to water.

Do not allow undiluted or large amounts of product to come into contact with groundwater, waterways or sewage systems.

Do not discharge materials into the surrounding environment without government permission.

Molecular structure data

1. Molar refractive index: 51.02

2. Molar volume (cm³/mol): 136.0

3. Isotonic specific volume (90.2K ):373.2

4. Surface tension (dyne/cm): 56.5

5. Polarizability (10^-24cm³) ：20.22

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 3.3

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 1

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 37.3

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 200

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 Number: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be sealed and stored in a cool, dry place away from light.

Synthesis method

（1) to β –Methylnaphthalene is used as raw material and is obtained by liquid phase air oxidation; (2) is based on β-Naphthylamine is used as raw material, diazotized with sodium nitrite in hydrochloric acid solution, reacted with copper cyanate to form naphthalene nitrile, neutralized in alkaline aqueous solution, and finally acidolyzed with acetic acid. .

Purpose

Used as raw material for photographic film base; in photosensitive resin, used for printed circuit boards, plate-making films, photoresists, and photosensitizers agent; modified additive for special resins; also used as plant growth regulator and dye raw material.