O,P’-Didi Didi

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:53-19-0

MDL number:MFCD00000850

EINECS number:200-166-6

RTECS number:KH7880000

BRN number:2056007

PubChem number:24855696

Physical property data

1. Character: Crystal.

2. Density (g/mL,25/4℃): Undetermined

3. Relative vapor density (g/mL,AIR=1): Undetermined

4. Melting point (ºC): 76~78

5. Boiling point (ºC,Normal pressure): Undetermined

6. Boiling point (ºC,5.2kPa): Undetermined

7. Refractive Index: 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/Water) distribution Log value of coefficient: Undetermined

17. Explosion limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility: Solution In ethanol, isooctane, carbon tetrachloride.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 79.65

2. Molar volume (m³/mol):233.1

3. isotonic ratio(90.2K)：602.7

4. Surface Tension(dyne/cm)：44.6

5. Polarizability(10-24cm³)：31.57

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 6.2

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 18

8. Surface charge: 0

9. Complexity: 248

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

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 yet

Storage method

Sealed and protected from light , Store in a dry place

Synthesis method

Generally produced from o-bromochlorobenzene.

Purpose

It is used to treat adrenocortical cancer and its migratory cancer, and can also be used to treat increased cortisol caused by adrenal hyperplasia or tumors. Symptom.

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