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:92-77-3

MDL number:MFCD00004096

EINECS number:202-188-1

RTECS number:202-188-1

BRN number:1842678

PubChem number:24853271

Physical property data

1. Character: Beige or reddish powder

2. Density (g/mL,25/4℃)： Undetermined

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

4. Melting point (oC):247 -250

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 optical rotation (o): Undetermined

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

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

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. Oil and water (octanol/Log value of the partition coefficient of water: undetermined

17. Explosion upper limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility: Insoluble in water and sodium carbonate solution, yellow in sodium hydroxide solution, slightly soluble in ethanol, soluble in hot nitrobenzene.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 80.55

2. Molar volume (m³/mol）：200.8

3. Isotonic specific volume (90.2K):565.7

4. Surface Tension (dyne/cm):62.9

5. Polarizability（10^-24cm³):31.93

Compute chemical data

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

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 9

6. Topological molecule polar surface area 49.3

7. Number of heavy atoms: 20

8. Surface charge: 0

9. Complexity: 338

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. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be sealed and stored in a cool place.

Synthesis method

By2,3Acid and aniline are condensed in the presence of phosphorus trichloride and chlorobenzene, and then the chlorobenzene is distilled out. Raw material consumption(kg/t)2,3Acid (100%) 780aniline (99%) 400Phosphorus trichloride (100%) 235Chlorobenzene (98%） 220Soda ash ( 98%) 210

Purpose

Widely used as a primer for dyeing and printing cotton fiber fabrics, such as with yellow base GCCouple is yellow, With orange baseGCCoupling It is orange, with a bright red baseRCor red baseKBCoupled to red, with the big red baseG Coupled to the red color of the national flag, and the blue base VBor blue base BBCoupled to blue, with red baseRCCoupled with sauce red, and maroon red baseGBCcoupled with jujube Red. Can also be used to make fast pigment dyes and organic pigments.

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