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
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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: 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
