Structural formula
| Business number | 025A |
|---|---|
| Molecular formula | C13H10O |
| Molecular weight | 182.22 |
| label |
xanthenes, Dibenzo-?-pyran, 10H-9-Oxaanthracene, 9H-Xanthene |
Numbering system
CAS number:92-83-1
MDL number:MFCD00005055
EINECS number:202-194-4
RTECS number:ZD5520000
BRN number:133939
PubChem number:24902135
Physical property data
1. Properties: White fine crystals.
2. Density (g/mL, 25/4?): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 100.5
5. Boiling point (ºC, normal pressure): 310~312? (sublimation at 315?)
6. Boiling point (ºC ,5.2kPa): Not determined
7. Refractive index: Not determined
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
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility: Soluble in ether , benzene, acetic acid, chloroform and petroleum, slightly soluble in ethanol, insoluble in water.
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 55.40
2. Molar volume (cm3/mol): 157.1
3. Isotonic specific volume (90.2K ): 411.3
4. Surface tension (dyne/cm): 47.0
5. Polarizability (10-24cm3): 21.96
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 3.5
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 9.2
7. Number of heavy atoms: 14
8. Surface charge: 0
9. Complexity: 181
10. Number of isotope atoms: 0
11. Determine the number of 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, dry place.
Synthesis method
None
Purpose
Organic Synthesis. ?
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