N-(3-hydroxy-2-naphthoyl)o-toluidine
Structural formula
| Business number | 03QA |
|---|---|
| Molecular formula | C18H15NO2 |
| Molecular weight | 277.32 |
| label |
Naftel AS-D, Naphthol AS-D, Naphthol AS-D, 1-(2′,3′-Hydroxynaphthoylamino)-2-methylbenzene, aromatic compounds |
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.