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

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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.