Oxindole Oxindole

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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. ​