xanthone
Structural formula
| Business number | 022F |
|---|---|
| Molecular formula | C13H8O2 |
| Molecular weight | 196.20 |
| label |
(Clamp)xanthone, 9H-Chanthen-9-one, 9-Xanthenone, 9H-Xanthen-9-one, Acaricide |
Numbering system
CAS number:90-47-1
MDL number:MFCD00005060
EINECS number:201-997-7
RTECS number:ZD5711000
BRN number:140443
PubChem number:24890164
Physical property data
1. Properties: White to light yellow needle-like crystals.
2. Density (g/mL, 25/4℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 174
5. Boiling point (ºC, normal pressure): 349-350℃ (97.3kPa), 143-146℃ (0.4kPa)
6. Boiling point (ºC, 5.2kPa): Not determined
7. Refractive index: Undetermined
8. Flash point (ºC): Not determined
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 Determined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility: Easily soluble in chloroform, soluble in ethanol, ether, chloroform, benzene, slightly soluble in petroleum ether, insoluble in water.
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index 55.53
2. Molar volume (cm3/mol): 153.6
3. Isotonic specific volume (90.2K) : 409.9
4. Surface tension (dyne/cm): 50.7
5. Polarizability (10-24cm3): 22.01
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Hydrogen bond supply�Number: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 0
5. Number of tautomers :None
6. Topological molecule polar surface area 26.3
7. Number of heavy atoms: 15
8. Surface charge: 0
9. Complexity: 237
10. Number of isotope atoms: 0
11. Number of determined atomic stereocenters: 0
12. Uncertain atoms Number of stereocenters: 0
13. Determine the number of stereocenters of chemical bonds: 0
14. Uncertain number of stereocenters of chemical bonds: 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
Heat phenyl salicylate to 275-285°C, start the reaction and distill off the generated phenol, continue to raise the temperature to 350-355°C, and the resulting product is refined into xanthone.
Purpose
Used in organic synthesis to prepare medicines, dyes and pupicides.
