2-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:120-18-3

MDL number:MFCD00004089

EINECS number:204-375-3

RTECS number:QK1225000

BRN number:None

PubChem number:24855002

Physical property data

1. Character: White to slightly brown leaf-like crystals

2. Density (g/mL, 25℃): Undetermined

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

4. Melting point (ºC): 91 (anhydrous), 83 (trihydrate), 124 (monohydrate)

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

6. Boiling point (ºC, KPa): Undetermined

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 (mmHg, ºC): Undetermined

12. Saturated vapor pressure (kPa, ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. The logarithmic value of the oil-water (octanol/water) partition coefficient: Undetermined

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

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

19. Solubility: Easily soluble in water, alcohol and ether. Easy to deliquesce.

Toxicological data

1. Acute toxicity: Rat oral LD50: 4440mg/kg

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 54.65

2. Molar volume (cm³/mol): 146.3

3. Isotonic specific volume (90.2K): 405.1

4. Surface tension (dyne/cm): 58.7

5. Polarizability (10^-24cm³): 21.66

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 62.8

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 291

10. Number of isotope atoms: 0

11. Determine the atomic stereocenter Quantity: 0

12. Uncertain number of stereocenters of atoms: 0

13. Determined number of stereocenters of chemical bonds: 0

14. Uncertain chemical bonds Number of stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Toxic. Orally administered LD50440 mg/kg to rats. Flush skin contamination with water and wash thoroughly with soap.
　

Storage method

Brown glass bottles are lined with fiberboard or calcium plastic box lining. Store in a cool, ventilated warehouse. Keep away from heat sources and fire. Store and transport isolated from oxidants.

Synthesis method

Obtained from sulfonation of naphthalene. It is obtained by using naphthalene as raw material and 98% sulfuric acid as sulfonating agent at 160-166℃. During the sulfonation process, a small amount of α-naphthalene sulfonic acid is generated as a by-product. By heating, the unstable α-naphthalene sulfonic acid can be hydrolyzed and detached from the sulfonic acid group at 140-150°C to become naphthalene and sulfuric acid, and use water vapor to The naphthalene can be blown out. When hydrolyzing naphthalene, a small amount of alkali solution should be added to neutralize part of the sulfuric acid. It also reacts with naphthalene sulfonic acid to form β-naphthalene sulfonic acid sodium salt crystals, which can be filtered to obtain the finished product.

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Purpose

Used to produce 2-naphthol, 2-naphtholsulfonic acid, 2-naphthylamine sulfonic acid and other dye intermediates. Diffusion agent N can be obtained by condensing this product with formaldehyde