
structural formula
| business number | 04jb |
|---|---|
| molecular formula | c6h11f |
| molecular weight | 102.15 |
| label |
aromatic fluoride |
numbering system
cas number:372-46-3
mdl number:mfcd00021285
einecs number:206-754-9
rtecs number:none
brn number:1900795
pubchem id:none
physical property data
1. physical property data
gas phase standard entropy (j·mol-1·k-1): 335.21
density (g/ml, 25/4℃): 0.928
relative density (20℃, 4℃) : 0.9278
melting point (ºc): 13
boiling point (ºc, normal pressure): 103
gas phase standard hot melt (j·mol-1·k-1): 116.7
refractive index at room temperature ( n20): 1.4146
flash point (ºc): 5
specific rotation (º): not available
autoignition point or ignition temperature (ºc): not available
vapor pressure (kpa, 25ºc): not available
p>
saturated vapor pressure (kpa, 60ºc): not available
heat of combustion (kj/mol): not available
critical temperature (ºc): not available
critical pressure (kpa): not available
oil-water (octanol/ log value of the distribution coefficient of water): not available
upper explosion limit (%, v/v): not available
lower explosion limit (% ,v/v): not available
solubility: not available
toxicological data
2. toxicological data:
acute toxicity: not available.
ecological data
3. ecological data:
1. other harmful effects: this substance may be harmful to the environment, and special attention should be paid to water bodies.
molecular structure data
1. molar refractive index: 37.87
2. molar volume (cm3/mol): 114.6
3. isotonic specific volume (90.2k ): 247.7
4. surface tension (dyne/cm): 21.8
5. polarizability (10-24cm3): 11.05
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 0
7. number of heavy atoms: 7
8. surface charge: 0
9. complexity: 46.1
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
���none
storage method
none
synthesis method
none
purpose
none

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