Structural formula
| Business number | 03QE |
|---|---|
| Molecular formula | C17H12N2O4 |
| Molecular weight | 308.29 |
| label |
Ice dye coupling component 17, Naphthol AS-BS, Naphto AS-BS, Naphthol AS-BS, Naphthol AS-BS, 3-Hydroxy-N-(3-nitrophenyl)-2-naphthylcarboxamide, aromatic compounds |
Numbering system
CAS number:135-65-9
MDL number:MFCD00021637
EINECS number:205-209-2
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：87.09 2、 Molar volume(m3/mol): 212.6 3、 Isotonic specific volume（90.2K）：621.2 4、 Surface tension(3.0 dyne/cm):72.7 5、 Polarizability0.5 10-24 cm3):34.52
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 4
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: 9
6. Topological molecule polar surface area 95.2
7. Number of heavy atoms: 23
8. Surface charge: 0
9. Complexity: 450
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 light yellow powder with a melting point of 246-247°C. It is insoluble in water and sodium carbonate solution, soluble in ethanol, and turns yellow in sodium hydroxide solution.
Storage method
None
Synthesis method
After the raw material is heated and dehydrated by chlorobenzene, 2,3-acid and m-nitroaniline are condensed in the presence of phosphorus trichloride and chlorobenzene, neutralized with sodium carbonate, and the chlorobenzene is evaporated, then filtered and dried. have to. Raw material consumption (kg/t) 2,3-acid 670 m-nitroaniline 530 phosphorus trichloride 220 chlorobenzene 170 sodium carbonate 170
Purpose
It is mainly used as a primer for cotton fabric dyeing and printing. It is generally used together with naphthol AS to produce bright red, rose red and other colors. It can also be used as an intermediate for fast pigments and organic pigments. The organic pigment toluidine purple can be prepared using naphthol AS-BS as raw material.
st1:chmetcnv tcsc=”0″ numbertype=”1″ negative=”True” hasspace=”False” sourcevalue=”24″ unitname=”cm” w:st=”on”>-24 cm3):34.52
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 4
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: 9
6. Topological molecule polar surface area 95.2
7. Number of heavy atoms: 23
8. Surface charge: 0
9. Complexity: 450
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 light yellow powder with a melting point of 246-247°C. It is insoluble in water and sodium carbonate solution, soluble in ethanol, and turns yellow in sodium hydroxide solution.
Storage method
None
Synthesis method
After the raw material is heated and dehydrated by chlorobenzene, 2,3-acid and m-nitroaniline are condensed in the presence of phosphorus trichloride and chlorobenzene, neutralized with sodium carbonate, and the chlorobenzene is evaporated, then filtered and dried. have to. Raw material consumption (kg/t) 2,3-acid 670 m-nitroaniline 530 phosphorus trichloride 220 chlorobenzene 170 sodium carbonate 170
Purpose
It is mainly used as a primer for cotton fabric dyeing and printing. It is generally used together with naphthol AS to produce bright red, rose red and other colors. It can also be used as an intermediate for fast pigments and organic pigments. The organic pigment toluidine purple can be prepared using naphthol AS-BS as raw material.
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