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.
