Oxindole Oxindole
Structural formula
| Business number | 01AE |
|---|---|
| Molecular formula | C8H7NO |
| Molecular weight | 133.15 |
| label |
Indoledione, 2-Indolinone, 2-Indolinone |
Numbering system
CAS number:59-48-3
MDL number:MFCD00005711
EINECS number:200-429-5
RTECS number:NM2080500
BRN number:114692
PubChem number:24880648
Physical property data
1. Properties: Brown needle-like crystals.
2. Density (g/mL, 25/4℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 125～127
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, 9.73kPa): 227
7. Refractive index: Undetermined
8. Flash point (ºC): Undetermined
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa, 25ºC): Undetermined
12. Saturation Vapor pressure (kPa, 60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit (% , V/V): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Soluble in ethanol and ether, slightly soluble in water.
Toxicological data
Acute toxicity: LD/LC50 value related to classification:
Oral LD50: 400mg/kg(mus)
Ecological data
Water hazard class 1 (German Regulation) (self-assessment via list) The substance is slightly hazardous to water.
Do not allow undiluted or large amounts of product to come into contact with groundwater, waterways or sewage systems.
Do not discharge materials into the surrounding environment without government permission.
Molecular structure data
1. Molar refractive index: 37.29
2. Molar volume (cm3/mol): 111.0
3. Isotonic specific volume (90.2K ): 285.8
4. Surface tension (dyne/cm): 43.9
5. Polarizability (10-24cm3): 14.78
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 1
4. Rotatable ChemistryNumber of bonds: 0
5. Number of tautomers: 3
6. Topological molecule polar surface area 29.1
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity: 155
10. Number of isotope atoms: 0
11. Determine Number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determined number of chemical bond stereocenters: 0
14 .The number of uncertain chemical bond stereocenters: 0
15. The number of covalent bond units: 1
Properties and stability
None yet
Storage method
This product should be sealed and stored at 4℃.
Synthesis method
None yet
Purpose
Organic Synthesis. Toulon reducing reagent.
