resorcinol dibenzoate

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:94-01-9

mdl number:mfcd00016576

einecs number:202-294-8

rtecs number:vh0590000

brn number:2059467

pubchem id:none

physical property data

1. character: flake crystal.

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

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

4. melting point (ºc): 117

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

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

7. refractive index: undetermined

8. flash point (ºc): undetermined

9. specific rotation (º): undetermined

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

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

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

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

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

19. solubility: soluble in absolute ethanol and ether.

toxicological data

none yet

ecological data

none yet

molecular structure data

1. molar refractive index: 89.54

2. molar volume (cm³/mol): 256.2 ±

3. isotonic specific volume (90.2 k): 682.0

4. surface tension (dyne/cm): 50.1

5. polarizability (10-24cm3): 35.49

compute chemical data

1. hydrophobic parameter calculation reference value (xlogp): 5

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 6

5. number of tautomers:

6. topological molecular polar surface area (tpsa): 52.6

7. number of heavy atoms: 24

8. surface charge: 0

9 , complexity: 383

10. number of isotope atoms: 0

11. number of determined atomic stereocenters: 0

12. uncertain atomic configuration number of centers: 0

13. number of determined stereocenters of chemical bonds: 0

14. number of uncertain stereocenters of chemical bonds: 0

15. covalent number of key units: 1

properties and stability

none yet

storage method

this product should be kept sealed.

synthesis method

none yet

purpose

make dyes. organic synthesis.