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).