4,4′-bismethoxybenzophenone

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:90-96-0

mdl number:mfcd00008404

einecs number:202-028-0

rtecs number:none

brn number:1878026

pubchem number:24848516

physical property data

1. appearance: white powder crystal

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

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

4. melting point (ºc): 141-146

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

6. boiling point (ºc, 5.2kpa): 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 (kpa, 25ºc): not determined determined

12. saturated vapor pressure (kpa, 60ºc): 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

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17. the upper limit of explosion (%, v/v): undetermined

18. the lower limit of explosion (%, v/v): undetermined

19. dissolution gender: undetermined

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 69.40

2. molar volume (cm³/mol): 215.5

3. isotonic specific volume (90.2k ): 540.2

4. surface tension (dyne/cm): 39.4

5. polarizability (10-24cm3): 27.51

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: 3

4. number of rotatable chemical bonds: 4

5. number of tautomers: none

6. topological molecule polar surface area 35.5

7. number of heavy atoms: 18

8. surface charge: 0

9. complexity: 235

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. the number of uncertain atomic stereocenters: 0

13. the number of determined chemical bond stereocenters: 0

14. the uncertain number of 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.