6-Amino-1-naphthalenesulfonic acid 6-Amino-1-naphthalenesulfonic 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:81-05-0

MDL number:MFCD00035724

EINECS number:201-318-4

RTECS number:29269095

BRN number:None

PubChem ID:None

Physical property data

1. Properties: White needle-like crystals.

2. Density (g/mL, 25/4℃): Uncertain

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

4. Melting point (ºC): 240-245℃ (anhydrous)

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

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

7. Refractive index: Uncertain

8. Flash point (ºC): Uncertain

9. Specific optical rotation Degree (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: Easily soluble It is almost insoluble in water and almost insoluble in alcohol. The aqueous solution shows red and blue fluorescence.

Toxicological data

None yet

Ecological data

None yet

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. Reference value for hydrophobic parameter calculation (XlogP): 1.2

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: none

6. Topological molecule polar surface area 88.8

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 322

10. Number of isotope atoms: 0

11. ConfirmDetermined number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determined 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 stored in a sealed, cool, dry place away from light.

Synthesis method

It is obtained by sulfonation of β-naphthylamine. The sulfonation reaction is carried out at 50-60°C to generate a mixture of 2-naphthylamine-5-sulfonic acid and 2-naphthylamine-8-sulfonic acid. After diluting with water, add sodium hydroxide solution to adjust the pH to 9, filter and evaporate. Sodium salt is obtained. Then it is extracted and separated with ethanol, and the extract is evaporated to dryness to obtain 2-naphthylamine-5-sulfonic acid sodium salt, which is then hydrolyzed and acidified to obtain the finished product.

Purpose

Dye intermediates. Used to produce acidic complex green B dye.