N-(3-hydroxy-2-naphthoyl)o-toluidine

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:135-61-5

MDL number:MFCD00021634

EINECS number:205-205-0

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

None

Toxicological data

None

Ecological data

None

Molecular structure data

Molecular property data:

1、 Molar refractive index：85.37

2、 Molar volume（m³/mol): 217.1

3、 Isotonic specific volume（90.2K）：603.3

4、 Surface tension(3.0 dyne/cm):59.6

5、 Polarizability0.5 10^-24 cm³):33.84

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 4.6

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: 370

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

This product is beige powder with a melting point of 195-196°C. Soluble in naphtha, insoluble in water and sodium carbonate solution, yellow in sodium hydroxide solution.

Storage method

None

Synthesis method

The finished product is obtained by forming a salt from 2,3-acid with chlorobenzene and sodium carbonate, dehydrating it, condensing it with o-toluidine in the presence of phosphorus trichloride, neutralizing it with sodium carbonate, evaporating and dechlorinating the benzene, filtering and drying it. Raw material consumption (kg/t) 2,3-acid 750 o-toluidine 430 chlorobenzene 200 sodium carbonate 450 450 phosphorus trichloride 280

Purpose

Mainly used as a primer for cotton fabric dyeing and printing, and as an intermediate for fast pigments and organic pigments.

cm³):33.84

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 4.6

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: 370

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

This product is beige powder with a melting point of 195-196°C. Soluble in naphtha, insoluble in water and sodium carbonate solution, yellow in sodium hydroxide solution.

Storage method

None

Synthesis method

The finished product is obtained by forming a salt from 2,3-acid with chlorobenzene and sodium carbonate, dehydrating it, condensing it with o-toluidine in the presence of phosphorus trichloride, neutralizing it with sodium carbonate, evaporating and dechlorinating the benzene, filtering and drying it. Raw material consumption (kg/t) 2,3-acid 750 o-toluidine 430 chlorobenzene 200 sodium carbonate 450 450 phosphorus trichloride 280

Purpose

Mainly used as a primer for cotton fabric dyeing and printing, and as an intermediate for fast pigments and organic pigments.