1,5-naphthylene disulfonic acid 1,5-naphthylene disulfonic acid
Structural formula
| Business number | 01RP |
|---|---|
| Molecular formula | C10H8O6S2 |
| Molecular weight | 288.3 |
| label |
None |
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.