p,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:72-54-8

MDL number:MFCD00000851

EINECS number:200-783-0

RTECS number:KI0700000

BRN number:1914072

PubChem number:24891742

Physical property data

1. Character: white crystal

2. Density (g/mL, 25/4℃): Uncertain

3. Relative vapor density (g/mL, air =1): Uncertain

4. Melting point (ºC): 94-96

5. Boiling point (ºC, normal pressure): Uncertain

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

7. Refractive index: Uncertain

8. Flash point (ºC): 11

9. Specific rotation (º): Uncertain

10. Autoignition point or ignition temperature (ºC): Uncertain

11. Vapor pressure (kPa, 25 ºC): Uncertain

12. Saturated vapor pressure (kPa, 60 ºC): Uncertain

13. Heat of combustion (KJ/mol): Uncertain

14. Critical Temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. Log value of oil-water (octanol/water) partition coefficient: Uncertain

15. p>

17. Explosion upper limit (%, V/V): Uncertain

18. Explosion lower limit (%, V/V): Uncertain

19. Dissolution Properties: Soluble in ethanol and carbon tetrachloride

Toxicological data

Acute toxicity: Rat oral LD50: 113 mg/kg; Mouse oral LDLo: 600 mg/kg; Rabbit Administration onto the skin LD50: 1200 mg/kg; Hamster oral LD50: >5 mg/kg; tumorigenic : Rat oral TDLo: 54 gm/kg/78W-C; Mouse oral TDLo: 39 gm/kg/2Y-C;

Mutagenicity: Mouse embryo morphological transformation test system: 28400 nmol/L; Mouse Serratia marcescens host-mediated test system: 1500 mg/kg;

Ecological data

None

Molecular structure data

1. Molar refractive index: 79.65

2. Molar refractive index: 79.65

2.Volume (cm³/mol): 233.1

3. Isotonic volume (90.2K): 465.2

4. Surface tension (dyne/cm) : 44.6

5. Polarizability (10-24cm3): 31.57

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: 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: 218

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

None

Storage method

This product should be stored in a sealed, cool, dry and dark place.

Synthesis method

Prepared from o-bromochlorobenzene.

Purpose

Anti-neoplastic drugs used to treat adrenocortical cancer.

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