flavanones

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:487-26-3

mdl number:mfcd00006841

einecs number:207-654-8

rtecs number:lk6906500

brn number:183227

pubchem number:24846563

physical property data

1. character: undetermined

2. density (g/ m³,25/4℃): undetermined

3. relative vapor density (g/cm³,air=1): undetermined

4. melting point (ºc): 75-78

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

6. boiling point (ºc,5.2kpa): undetermined

7. refractive index: undetermined

8. flash point (ºf): undetermined

9. specific optical rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

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

12. saturation vapor pressure ( kpa,60ºc): undetermined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. oil and water (octanol/water) logarithmic value of partition coefficient: undetermined

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

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

19. solubility: undetermined

toxicological data

acute toxicity: oral administration to wild birds ld50: 75mg/kg, no details other than lethal dose;

ecological data

this substance may be harmful to the environment, and special attention should be paid to water bodies.

molecular structure data

1、 molar refractive index:64.60

2、 molar volume（m³/mol): 187.9

3、 isotonic specific volume（90.2k）：489.8

4、 surface tension（3.0 dyne/cm span>):46.0

5、 polarizability（0.5 10^-24cm³):25.61

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: 2

4. number of rotatable chemical bonds: 1

5. number of tautomers: 2

6. topological molecule polar surface area 26.3

7. number of heavy atoms: 17

8. surface charge: 0

9. complexity: 281

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 1

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

use and store according to specifications, no decomposition will occur, and avoid contact with oxides

storage method

save sealed and placed in a ventilated, dry environment

synthesis method

none

purpose

none

resource:allhdi.com