Structural formula
| Business number | 025K |
|---|---|
| Molecular formula | C10H9NO3S |
| Molecular weight | 223.25 |
| label |
2-Naphthylamine-6-sulfonic acid, broronic acid, 6-amino-2-naphthalenesulfonic acid hydrate, 6-amine-2-naphthalenesulfonic acid, 6-Aminonaphthalene-2-sulphonic acid, 2-Naphthylamine-6-sulfonic acid monohydrate |
Numbering system
CAS number:93-00-5
MDL number:None
EINECS number:202-208-9
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Properties: Colorless needle-like crystals.
2. Density (g/mL, 25/4?): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): Not determined
5. Boiling point (ºC, normal pressure): Not determined
6. Boiling point (ºC, 5.2kPa): Not determined Determined
7. Refractive index: Undetermined
8. Flash point (ºC): Undetermined
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa, 25ºC): Undetermined
12. Saturation Vapor pressure (kPa, 60ºC): Undetermined
13. Heat of combustion (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. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Dissolved in 7790 parts of cold water at 20°C. Dissolved in 630 parts of boiling water, its aqueous solution (or sodium salt) shows blue fluorescence.
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 58.27
2. Molar volume (cm3/mol): 148.6
3. Isotonic specific volume (90.2K ): 433.1
4. Surface tension (dyne/cm): 72.1
5. Polarizability (10-24cm3): 23.10
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): -0.1
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors.??: 4
4. Number of rotatable chemical bonds: 1
5. Number of tautomers:
6. Topological molecule polar surface area ( TPSA): 80.4
7. Number of heavy atoms: 15
8. Surface charge: 0
9. Complexity: 322
10. Number of isotope atoms: 0
11. Number of determined atomic stereocenters: 0
12. Number of uncertain atomic stereocenters: 0
13. The number of determined stereocenters of chemical bonds: 0
14. The number of uncertain stereocenters of chemical bonds: 0
15. The number of covalent bond units: 1
Properties and stability
None
Storage method
None
Synthesis method
1. Using naphthol as raw material, it is prepared by aminosulfonation. The amination reaction temperature is 100~190?, and the sulfonation temperature is 160~190?. The generated 2-naphthylamine-6-sulfonic acid and 2-Naphthylamine-7-sulfonic acid is separated by salting out to obtain 2-naphthylamine-6-sulfonic acid.
2. Using Schiff’s acid as raw material, it is obtained through Bucherer reaction.
Purpose
Dye intermediates. It is a naphthalene dye intermediate used in the manufacture of acidic, direct and mordant azo dyes, etc.
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