1-iodoperfluorooctane

Structural formula

Business number	05A3
Molecular formula	C8F17I
Molecular weight	545.97
label	1-Iodoperfluorooctane, Heptadecafluorooctyl iodide, Perfluorooctyl iodide, CF3(CF2)7I

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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