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.