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:92-78-4

MDL number:MFCD00021639

EINECS number:202-189-7

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Characteristics: light beige powder

2. Density (g/mL,25/4℃)： Undetermined

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

4. Melting point (ºC):258 -259℃

5. Boiling point (ºC,Normal pressure): Undetermined

6. Boiling point (ºC, 94.7kpa): 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. Saturation 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: soluble in o-dichlorobenzene, insoluble in water and sodium carbonate solution. It is yellow in sodium hydroxide solution.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 85.44

2. Molar volume (m³/mol）：212.8

3. isotonic specific volume (90.2K):601.6

4. Surface Tension (dyne/cm):63.8

5. Polarizability（10^-24cm³): 33.87

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 4.8

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: 21

8. Surface charge: 0

9. Complexity: 368

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

With2,3-Acid and p-chloroaniline are the basic raw materials,2,3-The acid is salted with sodium carbonate and chlorobenzene, and after dehydration, in the presence of phosphorus trichloride Condensate with p-chloroaniline, neutralize with sodium carbonate, steam out chlorobenzene, then filter and dry to obtain the finished product. The finished product is obtained after drying. Product requirements: naphthol content ≥95%, the content of insoluble matter in the alkali solution ≤1.0%,2,3-Acid content≤1.0%, initial melting point of dry product ≥260℃ .

Purpose

It is mainly used as a primer for cotton fabric dyeing and printing, and can also be used as an intermediate for organic pigments. It is used as a primer for cotton fiber dyeing and printing, and as an intermediate for lake pigments.

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