5-Chloro-3-phenylaminoaniline anhydride
Structural formula
| Business number | 07F6 |
|---|---|
| Molecular formula | C13H8ClNO |
| Molecular weight | 229.66 |
| label |
5-Chloro-3-phenylbenzo-2,1-isoxazole, 5-Chloro-3-phenylbenzisoxazole, 5-Chloro-3-phenyl-2,1-benzisoxazole, stable intermediate |
Numbering system
CAS number:719-64-2
MDL number:MFCD00014573
EINECS number:211-950-2
RTECS number:None
BRN number:None
PubChem number:24883214
Physical property data
1. Character:Crystalline (ethanol).
2. Density (g/mL,25/4℃): Undetermined
3. Relative vapor density (g/mL,Air=1): Undetermined
4. Melting point (ºC):115 -117
5. Boiling point (ºC,Normal pressure): Undetermined
6. Boiling point (ºC,5.2kPa): Undetermined
7. �Radiation rate: Undetermined
8. Flashpoint (ºC): Undetermined
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºC): Undetermined
12. Saturated vapor pressure (kPa,60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Log value of partition coefficient (water): undetermined
17. Explosion Upper limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
None yet
Ecological data
Slightly hazardous to water. Do not allow undiluted or large quantities of product to come into contact with groundwater, waterways or sewage systems. Do not discharge material into the surrounding environment without government permission
Molecular structure data
1. Molar refractive index: 63.97
2. Molar volume（m3/ mol）：176.8
3. isotonic ratio（90.2K）：468.4
4. Surface Tension(dyne/cm)：49.2
5. Dielectric constant:
6. Dipole moment（10 -24cm3)：
7, Polarizability:25.36
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 4
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 26
7. Number of heavy atoms: 16
8. Surface charge: 0
9. Complexity: 242
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
Stable under normal temperature and pressure, avoid contact with oxides
Storage method
Keep container tightly sealed Take it out of the container and store it in a cool, dry place
Synthesis method
Can be used with p-nitrochlorobenzene and benzylnitrile in ethanol Prepared by condensation with the participation of sodium hydroxide
Purpose
Stable intermediates