p,p’-didip,p’-ddd

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

16. 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; oncogenic : 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.