1-Naphthylamine-8-sulphonic acid 1-Naphthylamine-8-sulphonic 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:82-75-7

MDL number:MFCD00035730

EINECS number:201-437-1

RTECS number:None

BRN number:983230

PubChem ID:None

Physical property data

1. Character: white needle-like crystal

2. Density (g/mL, 25/4℃): 1.72

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

4. Melting point (ºC): >350

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 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 : Soluble in glacial acetic acid, slightly soluble in hot water, very slightly soluble in cold water.

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. 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. Topological molecular polar surface area (TPSA): 80.4

6. Number of heavy atoms: 15

7. Surface charge: 0

8. Complexity: 322

9. Number of isotope atoms: 0

10. Determine the number of atomic stereocenters : 0

11. Uncertain number of atomic stereocenters: 0

12. Determined number of chemical bond stereocenters: 0

13. Uncertain chemical bond formation Number of structural centers: 0

14, Number of covalent bond units: 1

Properties and stability

Contains one molecule of crystal water, which is lost when heated to 130°C.

Toxic. Can cause poisoning if swallowed or absorbed through skin. Protective measures should be taken during the production process, good ventilation should be maintained at the production site, and operators should wear protective equipment.

Storage method

Should be kept sealed, dry and protected from light.

Packaged in 50kg plywood barrels or wood fiber round barrels lined with PVC bags. The mouth of the bag should be tied tightly and the lid of the bucket must be tightly sealed.

Synthesis method

The naphthalene method is mainly used. It is obtained by using naphthalene as raw material, low-temperature sulfonation with sulfuric acid, nitration with nitric acid, neutralization with magnesium carbonate, reduction of iron powder, and then acid precipitation and filtration. During the production of Klev’s acid, a mixed magnesium salt of aminonaphthalene sulfonate is obtained, which also contains magnesium salt of 1,8-aminonaphthalene sulfonate. These three isomer magnesium salts have different solubilities at different temperatures. During operation, the mixed solution (reducing solution) is first concentrated to a certain concentration, cooled to 30-32°C, and 1,6-aminonaphthalene sulfonic acid is precipitated first. Magnesium salt (acid precipitation after filtration yields 1,6-Klef acid); the filtrate is partially acidified by adding sulfuric acid, stirred at 40-45°C for 12 hours, and 1-naphthylamine-8-sulfonic acid is obtained by filtration. The filtrate is further subjected to acid precipitation to obtain 1,7-Klev acid.

Purpose

Dye chemistry, synthesis of azo dyes. Organic Synthesis. Used to manufacture a series of aniline dyes and intermediates, such as phenyl peric acid, tolyl peric acid, amino C acid, Chicago acid, navy gray and sulfide dark green 3GW, etc.