o-toluenesulfonamide

Structural formula

• 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:88-19-7

MDL number:MFCD00007934

EINECS number:201-808-8

RTECS number:XT4900000

BRN number:1102362

PubChem number:24855621

Physical property data

1. Properties: colorless or white octahedral crystal.

2. Density (g/mL, 25/4℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 156～158

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: soluble in ethanol, slightly soluble in water and ether.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

, Molar refractive index: 43.81

2, Molar volume (cm³/mol): 134.6

3, Isotonic specific volume (90.2K) : 351.2

4. Surface tension (dyne/cm): 46.3

5. Polarizability (10-24cm3): 17.36

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

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: none

6. Topological molecule polar surface area 68.5

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 217

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Uncertain chemical bond configurationNumber of centers: 0

15. Number of covalent bond units: 1

Properties and stability

Poisonous. Rat oral administration: LD504870mg/kg. During the production process, attention should be paid to the tightness of the equipment to prevent material leakage, and operators should wear protective equipment.
　

Storage method

This product should be sealed and stored away from light.

Package with inner plastic bag, outer woven bag, or inner plastic bag, middle layer kraft paper bag, outer woven bag. 25kg per bag. Keep away from moisture and heat when storing. Store and transport according to flammable and drug regulations.

Synthesis method

O-toluenesulfonyl chloride reacts with ammonia water at 60°C for 2 hours to produce o-toluenesulfonamide through ammoniation. The reactant is cooled and filtered to obtain a crude product, which is then decolorized with activated carbon and refined with acid and alkali to obtain the finished product.

Purpose

Organic Synthesis. Plasticizer. Antifungal agent for resins and coatings. ​​​