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

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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

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