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
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

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

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