resorcinol dibenzoate
structural formula
| business number | 0272 |
|---|---|
| molecular formula | c20h14o4 |
| molecular weight | 318.32 |
| label |
1,3-benzenediol dibenzoate, m-phenylene dibenzoate, phenylene isobenzoate, resorcinol bisbenzoate, dibenzoylresorcinol, 1,3-bis(benzoyloxy)benzene |
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.
