m-xylene-4-sulfonic acid
Structural formula
| Business number | 01ZR |
|---|---|
| Molecular formula | C8H10O3S |
| Molecular weight | 186.23 |
| label |
2,4-Dimethylbenzenesulfonic acid, 2,4-Dimethylbenzenesulfonic acid |
Numbering system
CAS number:88-61-9
MDL number:MFCD00007483
EINECS number:201-843-9
RTECS number:ZE5075000
BRN number:None
PubChem ID:None
Physical property data
1. Character: flake or prismatic crystal, containing two molecules of crystal water (water).
2. Density (g/mL, 25/4℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 61-62
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 Determined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (kPa, 25ºC): Not determined
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. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 46.34
2. Molar volume (cm3/mol): 144.7
3. Isotonic specific volume (90.2K ): 376.8
4. Surface tension (dyne/cm): 45.9
5. Polarizability (10-24cm3): 18.37
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): 1.4
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:
6. Topological molecular polar surface area (TPSA��: 54.4
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 240
10. Number of isotope atoms: 0
11. Number of determined atomic stereocenters: 0
12. Number of uncertain atomic stereocenters: 0
13 , The number of determined stereocenters of chemical bonds: 0
14, The number of uncertain stereocenters of chemical bonds: 0
15, The number of covalent bond units: 1
Properties and stability
None
Storage method
This product should be sealed and stored in a cool, dry place.
Synthesis method
Sulfonate xylene with concentrated sulfuric acid to separate 2,4-xylene sulfonic acid.
Purpose
Pharmaceutical intermediates (by-products of Schistosomiasis 846).
