1-Phenylisatin
Structural formula
| Business number | 07FK |
|---|---|
| Molecular formula | C14H9NO2 |
| Molecular weight | 223.23 |
| label |
1-Phenyl-indole-2,3-dione, Heterocyclic compounds |
Numbering system
CAS number:723-89-7
MDL number:MFCD00082681
EINECS number:000-000-0
RTECS number:NL7984000
BRN number:164531
PubChem number:24861496
Physical property data
1. Characteristics: orange powder
2. Density (g/mL,25/4℃): Undetermined
3. Relative vapor density (g/mL,AIR=1): Undetermined
4. Melting point (ºC): 139 -142
5. Boiling point (ºC,Normal pressure): Undetermined
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive index: undetermined
8. Flash point (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 limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: insoluble in water
Toxicological data
Acute toxicity: miceceliacLD50：425mg/ kg
Ecological data
Normally hazardous to water. Do not discharge material into the surrounding environment without government permission.
Molecular structure data
1. Molar refractive index: 62.08
2. Molar volume（m3/ mol）：166.7
3. isotonic ratio（90.2K）：462.9
4. Surface Tension(dyne/cm)：59.3
5. Dielectric constant:
6. Dipole moment（10 -24cm3)：
7. Polarizability:24.61
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
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 37.4
7. Number of heavy atoms: 17
8. Surface charge: 0
9. Complexity: 333
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
None yet
Purpose
None yet
