4,4′-Diaminostilbene-2,2′-disulfonic acid 4,4′-Diaminostilbene-2,2′-disulfonic acid

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:81-11-8

MDL number:MFCD00024946

EINECS number:201-325-2

RTECS number:WJ6603000

BRN number:629516

PubChem number:24869958

Physical property data

1. Properties: yellow or light yellow needle-like hygroscopic crystals, industrial products are light yellow paste.

2. Density (g/mL, 25/4℃): Uncertain

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

4. Melting point (ºC): >325

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

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

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. Saturation 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. Lower explosion limit (%,V/V): Uncertain

19. Solubility: Very slightly soluble in water, soluble in ethanol and diethyl ether, easily soluble in alkaline solutions.

Toxicological data

1. Acute toxicity

Pig caliber LD50: 47mg/kg;

2. Reproductive toxicity:

Rat abdominal TDLO: 300 mg/kgSEX/DURATION

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 88.56

2. Molar volume (cm³/mol): 222.7

3. Isotonic specific volume (90.2K ): 690.8

4. Surface tension (dyne/cm): 92.5

5. Polarizability (10^-24cm³): 35.11

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.3

2. Number of hydrogen bond donors: 4

3. Number of hydrogen bond acceptors: 8

4. Number of rotatable chemical bonds: 4

5. Topological molecular polar surface area (TPSA): 161

6. Number of heavy atoms: 24

7. Surface charge: 0

8. Complexity: 606

9. Number of isotope atoms: 0

10. Determine the number of atomic stereocenters: 0

11. Uncertain number of atomic stereocenters: 0

12. Determined number of chemical bond stereocenters: 1

13. Uncertain chemical bond stereocenters Number of centers: 0

14. Number of covalent bond units: 1

Properties and stability

Toxic and irritating to skin. Avoid accidental ingestion and direct contact with the human body. Operators should wear labor protection equipment.
　

Storage method

This product should be stored in a sealed, cool, dry place away from light.

Packaged in wooden or iron drums lined with plastic bags. 50kg per barrel. Store in a cool, ventilated warehouse and keep sealed. Storage period is half a year. Store and transport according to regulations on toxic chemicals.

Synthesis method

It is formed by sulfonation of p-nitrotoluene into p-nitrotoluene orthosulfonic acid, which is then catalytically oxidized into 4,4′-dinitrostilbene disulfonic acid, and then reduced.

Purpose

Used for making fluorescent whitening agents and direct dyes.
As a dye intermediate, DSD acid is the main raw material for the production of stilbene series fluorescent whitening agent VBL; it is also an important intermediate for direct dyes and reactive dyes. It can produce hundreds of varieties such as Direct Frozen Yellow G, Direct Brilliant Yellow 4R, Active Bright Yellow KD-3G, Sunfast Orange F3G, etc. It can also be used as a moth repellent.