structural formula
| business number | 01fa |
|---|---|
| molecular formula | c13h13no2s |
| molecular weight | 247.31 |
| label |
benzenesulfonamide, 4-methyl-n-phenyl- , 4-methyl-n-phenylbenzenesulfonamide, n-phenyl-p-toluenesulfonamide, p-toluenesulfanilide, p-toluenesulfonylanilide, n-tosylaniline |
numbering system
cas number:68-34-8
mdl number:mfcd00025989
einecs number:none
rtecs number:xt6100000
brn number:none
pubchem id:none
physical property data
1. properties: uncertain
2. density (g/ml, 25/4℃): uncertain
3. relative vapor density (g/ml, air =1): uncertain
4. melting point (ºc): 102
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
p>
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: uncertain ok
toxicological data
acute toxicity: mouse intravenous ld50: 44 mg/kg;
ecological data
none
molecular structure data
1. molar refractive index: 68.55
2. molar volume (cm3/mol): 194.8
3. isotonic specific volume (90.2k ): 523.6
4. surface tension (dyne/cm): 52.1
5. polarizability (10-24cm3): 27.17
compute chemical data
1. hydrophobic parameter calculation reference value (xlogp): 3.4
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 3
4. number of rotatable chemical bonds: 2
5. topological molecular polarity tablearea (tpsa): 49.7
6, number of heavy atoms: 17
7, surface charge: 0
8, complexity: 346
9. number of isotope atoms: 0
10. number of determined atomic stereocenters: 0
11. number of uncertain atomic stereocenters: 0
12. determined number of stereocenters of chemical bonds: 0
13. uncertain number of stereocenters of chemical bonds: 0
14. number of covalent bond units: 1
properties and stability
none
storage method
none
synthesis method
none
purpose
none
