2,6-dichloroquinone-4-chloroimide 2,6-dichloroquinone-4-chloroimide

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:101-38-2

mdl number:mfcd00001611

einecs number:202-937-2

rtecs number:gu5470000

brn number:2364249

pubchem number:24894032

physical property data

1. properties: yellow needle-like crystals

2. density (g/ml, 20℃): undetermined

3. relative vapor density (g/ml, air =1): undetermined

4. melting point (ºc): 63-67

5. boiling point (ºc, normal pressure): undetermined

6 . boiling point (ºc, kpa): not determined

7. refractive index: undetermined

8. flash point (ºc): not determined

9. specific rotation (º): not determined

10. autoignition point or ignition temperature (ºc): not determined

11. vapor pressure (mmhg, 25ºc): not determined

12. saturated vapor pressure (kpa, 25ºc): 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. explosion lower limit (%, v/v): undetermined

19. solubility: soluble in ether and chloroform.

toxicological data

acute toxicity: rat oral ld: >500mg/kg; mouse peritoneal cavity ld25: 20mg/kg; mouse intravenous injection ld50: 56mg/kg;

ecological data

none yet

molecular structure data

1. molar refractive index: 45.35

2. molar volume (cm³/mol): 130.4

3. isotonic specific volume (90.2k ): 343.1

4. surface tension (dyne/cm): 47.9

5. dielectric constant:

6. dipole moment (10^-24cm³):

7. polarizability: 17.97

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2.9

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 0

5. number of tautomers: none

6. topological molecule polar surface area 29.4

7. number of heavy atoms: 11

8. surface charge: 0

9. complexity: 266

10. number of isotope atoms: 0

11. number of determined atomic stereocenters: 0

12. number of uncertain atomic stereocenters: 0

13. determine the number of stereocenters of chemical bonds: 0

14. uncertain number of stereocenters of chemical bonds: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

none yet

synthesis method

prepared by oxidizing 2,6-dichloro-p-aminophenol with hypochlorous acid.

purpose

used to identify phenol, para-substituted phenol and para-substituted alkoxyphenol.