structural formula
| business number | 04s8 |
|---|---|
| molecular formula | c8brf17 |
| molecular weight | 498.96 |
| label |
1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane, perfluorooctane, perfluorobromane, perfluorooctyl bromide, perfluorooctyl bromide, 1-bromoperfluorooctane, 98+%, 1-bromoperfluorooctane, perfluoro-n-octyl bromide, perfluoroooctyl bromide, 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-octan, 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-octane, 1-bromoheptadecafluoro-octan, long’s compound, perflubron, perfluoroctylbromide |
numbering system
cas number:423-55-2
mdl number:mfcd00042082
einecs number:207-028-4
rtecs number:rg8700000
brn number:2016022
pubchem number:24861212
physical property data
一 , physical property data
traits ：not available
density (g/ml,25/4℃): 1.93
relative vapor density (g/ml, air=1)：not available
melting point (ºc): 6
boiling point (ºc, normal pressure): 142
boiling point (ºc, 5.2kpa): not available
refraction rate: 1.305
flash point (ºc): 141-143
optical rotation (º): not available
spontaneous combustion point or ignition temperature (ºc): not available
steam pressure (kpa, 25ºc): not available
saturated vapor pressure (kpa, 60ºc): not available
burn heat (kj/mol):not available
critical temperature (ºc): not available
critical pressure (kpa): not available
oil and water log value of the (octanol/water) partition coefficient:not available
explosion upper limit (%, v/v): not available
explosion lower limit (%, v/v): not available
solubility: not available
toxicological data
two , toxicological data:
acute toxicity:not available .
ecological data
three , ecological data:
1 , other harmful effects: this substance may be harmful to the environment, and special treatment should be given to water bodies. notice.
molecular structure data
1、 molar refractive index:49.35
2、 molar volume（m3/mol)：266.7
3、 isotonic specific volume (90.2k):524.9
4、 surface tension（dyne/cm)：14.9
5、 polarizability(10-24cm3）：19.56
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 6.9
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 17
4. number of rotatable chemical bonds: 6
5. number of tautomers: none
6. topological molecule polar surface area 0
7. number of heavy atoms: 26
8. surface charge: 0
9. complexity: 527
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
