2,2′-dihydroxy-5,5′-dichlorophenyl sulfide

structural formula

business number	02bz
molecular formula	c12h8cl2o2s
molecular weight	287.16
label	bis-(2-hydroxy-5-chlorophenyl) sulfide, 2,2'-dihydroxy-5,5'-dichlorodiphenyl sulfide, bis(5-chloro-2-hydroxyphenyl) sulfide

• 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:97-24-5

mdl number:mfcd00031479

einecs number:202-568-7

rtecs number:sn0350000

brn number:none

pubchem id:none

physical property data

1. characteristics: undetermined

2. density (g/ml, 20℃): undetermined

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

4. melting point (ºc): 175

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

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

7. refractive index: not determined

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, 20.2ºc): not determined

12. saturated vapor pressure (kpa, ºc): 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: undetermined

toxicological data

acute toxicity: mouse peritoneal cavity ldl0: 250mg/kg;

ecological data

none

molecular structure data

1. molar refractive index: 72.18

2. molar volume (cm³/mol): 180.7

3. isotonic specific volume (90.2k ): 534.5

4. surface tension (dyne/cm): 76.4

5. polarizability (10-24cm3): 28.61

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 4.5

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 2

5. number of tautomers: 5

6. topological molecule polar surface area 65.8

7. number of heavy atoms: 17

8. surface charge: 0

9. complexity: 231

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. uncertain number of stereocenters of chemical bonds: 0

15. covalency��number of units: 1

properties and stability

none

storage method

none

synthesis method

none

purpose

none

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