5′-Chloro-3-hydroxy-2′-methyl-2-naphthoanilide
Structural formula
| Business number | 03QC |
|---|---|
| Molecular formula | C18H13ClO2 |
| Molecular weight | 311.76 |
| label |
N-(5-chloro-2-methylphenyl)-3-hydroxy-2-naphthylcarboxamide, Naphthol AS-KB, Naphthol AS-KB, Ice dye coupling component 21, 5′-Chloro-3-hydroxy-2′-methyl-2-naphthoanilide, aromatic compounds |
Numbering system
CAS number:135-63-7
MDL number:MFCD00021636
EINECS number:205-207-1
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：90.27
2, Molar volume（m3/mol):229.0
3, Isotonic specific volume（90.2K）：639.2
4, Surface tension（3.0 dyne/cm SPAN>): 60.6
5, Polarizability（ 0.5 10-24cm3): 35.78
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 5.2
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: 22
8. Surface charge: 0
9. Complexity: 403
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
None
Synthesis method
None
Purpose
Mainly used to make organic pigments
v w:st=”on” tcsc=”0″ numbertype=”1″ negative=”True” hasspace=”False” sourcevalue=”24″ unitname=”cm”>-24cm3): 35.78
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 5.2
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: 22
8. Surface charge: 0
9. Complexity: 403
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
None
Synthesis method
None
Purpose
Mainly used to make organic pigments
