4,4′-dichlorodiphenylmethanol

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:90-97-1

mdl number:mfcd00000629

einecs number:202-029-6

rtecs number:none

brn number:1878717

pubchem number:24847134

physical property data

1. characteristics: milky white to light brown powder.

2. density ( g/ml,25/4℃) ： undetermined

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

4. melting point ( ºc） ： 91-95

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): not ok

11. vapor pressure (kpa,25ºc): undetermined

12. explosion limit (%,v/v): undetermined

18. lower explosion limit (%,v/v): not ok

19. solubility: undetermined

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index:66.89

2. molar volume (m³/mol):190.9

3. isotonic specific volume (90.2k): 505.4

4. surface tension (dyne/cm): 49.0

5. polarizability（10^-24 cm³):26.51

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 1

4. number of rotatable chemical bonds: 2

5. number of tautomers: none

6. topological molecule polar surface area 20.2

7. number of heavy atoms: 16

8. surface charge: 0

9. complexity: 184

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 sealed and stored in a cool place.

synthesis method

none

purpose

organic synthesis.

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4. surface tension (dyne/cm): 49.0

5. polarizability（10^-24 cm³):26.51

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 1

4. number of rotatable chemical bonds: 2

5. number of tautomers: none

6. topological molecule polar surface area 20.2

7. number of heavy atoms: 16

8. surface charge: 0

9. complexity: 184

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 sealed and stored in a cool place.

synthesis method

none

purpose

organic synthesis.