Structural formula
| Business number | 020F |
|---|---|
| Molecular formula | C8H6O7S |
| Molecular weight | 246.19 |
| label |
4-Sulfonylsalicylic acid, 4-Sulfophthalic acid, 4-Sulfo-2-benzenedicarboxylic acid, HO3SC6H3-1,2-(CO2H)2 |
Numbering system
CAS number:89-08-7
MDL number:MFCD00007494
EINECS number:201-881-6
RTECS number:None
BRN number:None
PubChem number:24857097
Physical property data
1. Properties: White to slightly yellow powdery crystal.
2. Density (g/mL, 25/4℃): 1.79
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 276℃ (anhydrous), 242℃ (with 2 molecules of crystal water),
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, 5.2kPa): 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 (kPa, 25ºC): Undetermined
12. Saturated vapor pressure (kPa, 60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility: Easily soluble in alcohol, slightly soluble in ether and water. Can be sublimated.
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 49.65
2. Molar volume (cm3/mol): 137.2
3. Isotonic specific volume (90.2K ): 421.1
4. Surface tension (dyne/cm): 88.6
5. Polarizability (10-24cm3): 19.68
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): -0.3
2. Number of hydrogen bond donors: 3
3. Number of hydrogen bond acceptors: 7
4. Number of rotatable chemical bonds: 3
5. Number of tautomers:
6. Topological molecular polar surface area (TPSA): 129
7. Number of heavy atoms: 16
8. Surface charge: 0
9. Complexity: 393
10. Number of isotope atoms: 0
11. Number of determined atomic stereocenters: 0
12. Uncertain atomic stereocenters Quantity: 0
13. The number of determined stereocenters of chemical bonds: 0
14. The number of uncertain stereocenters of chemical bonds: 0
15. Covalent bonds Number of units: 1
Properties and stability
None
Storage method
This product should be stored in a sealed, cool and dry place.
Synthesis method
It is obtained by methoxylation of 2,5-dichloronitrobenzene.
Purpose
Organic intermediate for the synthesis of red-based RC.
