Structural formula
| Business number | 05A3 |
|---|---|
| Molecular formula | C8F17I |
| Molecular weight | 545.97 |
| label |
1-Iodoperfluorooctane, Heptadecafluorooctyl iodide, Perfluorooctyl iodide, CF3(CF2)7I |
Numbering system
CAS number:507-63-1
MDL number:MFCD00001064
EINECS number:208-079-5
RTECS number:RG9700050
BRN number:1717141
PubChem number:24887177
Physical property data
1. Character: colorless liquid
2. Density (g/ cm3,25/4℃): 2.071
3. Relative vapor density (g/cm3,AIR=1): Undetermined
4. Melting point (ºC):25
5. Boiling point (ºC,Normal pressure):160
6. Boiling point (ºC,8kPa): Undetermined
7. Refractive index:1.336
8. Flash Point (ºF): Undetermined
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºC):3
12. Saturated vapor pressure (kPa,60ºC): Undetermined
13. Heat of combustion (KJ/mol):38.1
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Log value of water) partition coefficient:9
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility:Hardly soluble in water
Toxicological data
1. Acute toxicity: mice via intravenous LD50: 7500mg/kg, no details except lethal dose;
Ecological data
This substance may be harmful to the environment, and special attention should be paid to water bodies.
Molecular structure data
1、 Molar refractive index:54.59
2、 Molar Volume（m3/mol)：272.4
3、 Isotonic specific volume (90.2K):546.7
4, Surface Tension（dyne/cm ）：16.2
5、 Polarizability(10-24cm3）：21.64
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 6.8
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
Use and store according to specifications, no decomposition will occur, and avoid contact with oxides
Storage method
Stored in a cool, dry, well-ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. Should be stored separately from acids and food chemicals.Avoid mixed storage. Suitable materials should be available in the storage area to contain spills.
Synthesis method
None
Purpose
None
