4,4′-Oxydibenzenesulfonyl hydrazide 4,4′-Oxydibenzenesulfonyl hydrazide

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:80-51-3

MDL number:None

EINECS number:201-286-1

RTECS number:DB7321000

BRN number:None

PubChem ID:None

Physical property data

1. Properties: White needle-like crystals, flammable. Irritating

2. Density (g/mL, 25/4℃): 1.52

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

4. Melting point (ºC): 160.0℃~161.0℃

5. Boiling point (ºC, normal pressure): Uncertain

6. Boiling point (ºC, normal pressure) 5.2kPa): Uncertain

7. Refractive index: Uncertain

8. Flash point (ºC): Uncertain

9. Specific rotation ( º): Uncertain

10. Autoignition point or ignition temperature (ºC): Uncertain

11. Vapor pressure (kPa, 25ºC): Uncertain

12. Saturated vapor pressure (kPa, 60ºC): Uncertain

13. Heat of combustion (KJ/mol): Uncertain

14. Critical temperature (ºC): Uncertain Determine

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: Slightly soluble in heat Water and ethanol, insoluble in cold water and various organic solvents

Toxicological data

1. Teratogenicity

Salmonella: 800ug/plate; rat liver: 100 umol/L

Mouse liver: 100 umol/L

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 85.38

2. Molar volume (cm³/mol): 235.5

3. Isotonic specific volume (90.2K ): 669.5

4. Surface tension (dyne/cm): 65.2

5. Polarizability (10^-24cm³): 33.84

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -0.1

2. Number of hydrogen bond donors: 4

3. Number of hydrogen bond acceptors: 9

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4. Number of rotatable chemical bonds: 6

5. Number of tautomers: none

6. Topological molecule polar surface area 170

7. Number of heavy atoms: 23

8. Surface charge: 0

9. Complexity: 516

10. Number of isotope atoms: 0

11. Determine the atomic position Number of stereocenters: 0

12. Uncertain number of stereocenters of atoms: 0

13. Determined number of stereocenters of chemical bonds: 0

14. No Determine the number of stereocenters of chemical bonds: 0

15. The number of covalent bond units: 1

Properties and stability

None yet

Storage method

This product should be sealed and stored away from light.

Synthesis method

1.Use diphenyl ether to undergo sulfonyl chlorination with chlorosulfonic acid to obtain 4,4′-oxobisphenylsulfonyl chloride, and then react with hydrazine hydrate to obtain 4,4′-Oxobishenylsulfonylhydrazide. The reaction formula is as below

Use diphenyl ether and excess chlorosulfonic acid (molar ratio about 1:6) to react at room temperature for 2 hours Then pour it into water and filter to obtain the crude intermediate 4,4′-chlorobisphenylsulfonyl chloride. Diphenyl ether was sulfonated with approximately the same amount of concentrated sulfuric acid under vacuum and 135°C for 4 hours, then refluxed with an equal amount of phosphorus oxychloride for 3 hours, poured into ice water, separated, filtered, washed, filtered and dried. Get intermediate. The intermediate is reacted with a slight excess of hydrazine hydrate and an equivalent amount of ammonia water at 30 to 40°C for 3 hours, and finally the product is filtered, washed, and dried to obtain the product.

2.Diphenyl ether is first sulfonated with concentrated sulfuric acid, and then reacted with phosphorus oxychloride to obtain 4,4′- Oxybiphenylsulfonyl chloride continues to react with hydrazine hydrate and ammonia to obtain 4,4′-oxobisphenylsulfonyl hydrazide. The reaction formula is as follows

Add the predetermined amount of diphenyl ether and concentrated sulfuric acid into the reaction bottle, connect the pressure reduction system and start to slowly raise the temperature to 135°C. After maintaining the reaction for 4 hours, the temperature was lowered to 100-110°C and the pressure reduction system was removed. Add the predetermined amount of phosphorus oxychloride dropwise from the liquid funnel, maintain the reaction for about 3 hours and then cool down. Precipitate the reactant in ice water. After washing the precipitate, take a certain amount of the precipitate and place it in another reaction bottle. Add a certain amount of water and start stirring. Add a mixture of ammonia water and hydrazine hydrate, maintain the reaction at 40°C, filter the reactant after about 3 hours, wash it with water until neutral, and dry it under vacuum or infrared to obtain an off-white powder product.

Purpose

Foaming agent for rubber and plastic industry.

It is an organic sulfonyl hydrazide foaming agent that is widely used and is known as a universal foaming agent. It can be used in polyvinyl chloride, polyethylene, polypropylene and ABS resin, etc. It can also be used as a blend of rubber and synthetic resin and as a foaming agent for various synthetic rubbers. Applicable products include wallpaper, carpets, communication cables, artificial leather and various packaging materials. Its cell structure is fine and uniform, and it is especially suitable for manufacturing various foam plastics such as polyethylene foamed wire and cable insulation materials and microporous PVC paste foam. Used together with sodium bicarbonate to reduce the decomposition temperature. When used in chloroprene rubber, it also has the effect of promoting vulcanization.