structural formula
| business number | 04s5 |
|---|---|
| molecular formula | c4f9i |
| molecular weight | 345.93 |
| label |
perfluoroiodobutane, nonafluoro-4-iodobutane, nonafluorobutyl iodide, perfluorobutyl iodide, 1-iodoperfluorobutane, perfluorobutyl iodide, 1,1,1,2,2,3,3,4,4-nonafluoro-4-iodo-butan, butane, 1,1,1,2,2,3,3,4,4-nonafluoro-4-iodo-, m-nonafluorobutyl iodide, 1,1,1,2,2,3,3,4,4-nonafluoro-4-iodobutane, 1-iodononafluorobutane, perfluorobutyl iodide, perfluoro-n-butyl iodide, n-nonafluorobutyliodide |
numbering system
cas number:423-39-2
mdl number:mfcd00001062
einecs number:207-025-8
rtecs number:none
brn number:1777546
pubchem number:24859103
physical property data
一 , physical property data
traits ：not available
density (g/ml,25/4℃): 2.01
relative vapor density (g/ml, air=1)：not available
melting point (ºc):-88
boiling point (ºc, normal pressure): 66-67
boiling point (ºc, 5.2kpa): not available
refraction rate: 1.3285
flash point (ºc): not available
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:34.88
2、 molar volume（m3/mol)：162.6
3、 isotonic specific volume (90.2k):331.2
4、 surface tension（dyne/cm)：17.2
5、 polarizability(10-24cm3）：13.83
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 4.1
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 9
4. number of rotatable chemical bonds: 2
5. number of tautomers: none
6. topological molecule polar surface area 0
7. number of heavy atoms: 14
8. surface charge: 0
9. complexity: 215
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
