structural formula

business number	025a
molecular formula	c13h10o
molecular weight	182.22
label	xanthenes, dibenzo-γ-pyran, 10h-9-oxaanthracene, 9h-xanthene

• 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: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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