Dibenzofurans
Structural formula
Business number | 03NL |
---|---|
Molecular formula | C12H8O |
Molecular weight | 168.20 |
label |
Oxyfluorene, 2,2’Dibenzofuran, Diphenylene oxide, 2,2′-Biphenylene oxide, disinfectant, preservative, synthetic raw materials, Intermediates |
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.