1,5-naphthylene disulfonic acid 1,5-naphthylene disulfonic 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:81-04-9

MDL number:MFCD00149265

EINECS number:216-732-0

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Properties: White flaky crystals (containing 4 molecules of water).

2. Density (g/mL, 25/4℃): Uncertain

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

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

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

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

7. Refractive index: Uncertain

8. Flash point (ºC): Uncertain

9. Ratio Optical rotation (º): Uncertain

10. Autoignition point or ignition temperature (ºC): Uncertain

11. Vapor pressure (kPa, 25ºC): Uncertain

p>

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 Soluble in water and ethanol, insoluble in ether.

Toxicological data

1. Acute toxicity

Rat caliber LD50: 30mg/kg;

Mouse caliber LD50: 47mg/kg;

Rabbit caliber LD50: 30mg/kg;

Pig caliber LD50: 47mg/kg;

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 65.00

2. Molar volume (cm³/mol): 169.1

3. Isotonic specific volume (90.2K ): 500.0

4. Surface tension (dyne/cm): 76.4

5. Polarizability (10^-24cm³): 25.77

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 0.6

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 6

4. Number of rotatable chemical bonds: 2

5. Topological molecular polar surface area (TPSA): 109

6. Number of heavy atoms: 18

7. Surface charge: 0

8. Complexity: 450

9. Number of isotope atoms: 0

10�� Determine the number of atomic stereocenters: 0

11. Uncertain number of atomic stereocenters: 0

12. Determine the number of chemical bond stereocenters: 0

13. Number of uncertain chemical bond stereocenters: 0

14. 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

Derived from naphthalene sulfonation. Add about 500kg of 20% fuming sulfuric acid into the sulfonation pot, slowly add 210kg of fine naphthalene powder within 1.5 hours while stirring, control the temperature to 25-30°C, and stir for half an hour. Raise the temperature to 40°C, keep it warm for 1 hour, and react until all the materials can be dissolved. Lower the temperature to below 20°C, add 1700-1720kg of 20% sulfuric acid slowly and then quickly within 10 hours, while the temperature is still controlled at 25-30°C. After addition, stir for 4 hours. Put the reactant into 20% sodium chloride, cool and filter. The filter cake is dissolved in hot water, adjusted to neutral with sodium hydroxide solution, filtered, and dried to obtain 1,5-naphthalenedisulfonic acid.

Purpose

Used as an intermediate for dyes. Used in the manufacture of 1,5-dihydroxynaphthalene, amino G acid and other intermediates.