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.
