dibenzofurans

structural formula

• 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:132-64-9

mdl number:mfcd00004968

einecs number:205-071-3

rtecs number:hp4430000

brn number:121100

pubchem number:24854168

physical property data

1. melting point (ºc): 86.5

2. boiling point (ºc): 287, 154~155 (2666pa)

3. relative density (25℃, 4℃ ): 1.0886⁹⁹

4. refractive index at room temperature (n²⁵): 1.6079⁹⁹

5. critical temperature (ºc): 550.85

6. critical pressure (mpa): 3.64

7. critical density (g·cm^-3 ): 0.34

8. critical volume (cm³·mol^-1): 495

9. critical compression factor : 0.26

10. eccentricity factor: 0.275

11. flash point (ºc): 130

12. character: white or light yellow crystal.

13. solubility: insoluble in water, soluble in ethanol, acetone and benzene. easily soluble in ether.

toxicological data

mutagenicity data:

sister chromatid rodent-hamster ovary: 10 mg/l

ecological data

none yet

molecular structure data

1. molar refractive index: 54.23

2. molar volume (cm³/mol): 140.4

3. isotonic specific volume (90.2k ): 368.9

4. surface tension (3.0 dyne/cm): 47.5

5. polarizability (0.5 10^-24cm ³): 21.50

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

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 13.1

7. number of heavy atoms: 13

8. surface charge: 0

9. complexity: 170

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

1. exist in oriental tobacco leaves and smoke.

storage method

storage:

keep sealed.

synthesis method

1. tobacco: or, 26.

purpose

1. used as raw materials for medicine, disinfectants, preservatives, dyes; synthetic resins and high-temperature lubricants.

2. used for the production of drugs for the treatment of liver flukes in cattle and sheep.