2-Naphthoic acid 2-Naphthoic acid
Structural formula
| Business number | 025S |
|---|---|
| Molecular formula | C11H8O2 |
| Molecular weight | 172.18 |
| label |
Beta-naphthoic acid, β-Naphthalenecarboxylic acid, 2-Maythic acid, 2-Carboxynaphthalene |
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.