1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodooctane

• ChemBase ID: 8872
• Molecular Formular: C8F17I
• Molecular Mass: 545.9629244
• Monoisotopic Mass: 545.87732774
• SMILES: C(C(I)(F)F)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C8F17I/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26
• InChIKey: KWXGJTSJUKTDQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodooctane
• IUPAC Traditional name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodooctane
• Synonyms: Perfluorooctyl iodide; 1-Iodoperfluorooctane; Perfluorooctyl iodide 98%; Heptadecafluorooctyl iodide; Perfluorooctyl iodide; Heptadecafluoro-1-iodooctane; 1-Iodoperfluorooctanee; Perfluoro-1-iodooctane; 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-iodooctane; 1-Iodo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane; 1-Iodoheptadecafluorooctane; Heptadecafluoro-1-iodooctane; Perfluoro-1-iodooctane; Perfluoro-n-octyl Iodide; Telomer AN; 1-碘全氟辛烷; 全氟碘代辛烷; 全氟辛基碘烷; 十七氟-1-碘辛烷; 1-碘全氟辛烷

Database IDs

• CAS Number: 507-63-1
• EC Number: 208-079-5
• MDL Number: MFCD00001064
• Beilstein Number: 1717141
• PubChem SID: 24855749; 160972179; 24887177
• PubChem CID: 10491

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.2406
• LogD (pH = 7.4): 7.2406
• Log P: 7.2406
• Molar Refractivity: 53.8519 cm^3
• Polarizability: 21.62542 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform; Ethyl Acetate
• Apperance: Clear Colorless to Pale Pink Oil
• Melting Point: 25°C; 25°C
• Boiling Point: 160-161 °C(lit.); 160-161°C; 160-161°CC; 160-161°C
• Flash Point: 115 °C; 115°C; 239 °F
• Density: 2.040; 2.067 g/mL at 20 °C(lit.)
• Refractive Index: 1.3290; n20/D 1.329; n20/D 1.329(lit.)

Safety Information

• Storage Condition: Refrigerator
• Storage Warning: IRRITANT, LIGHT SENSITIVE; Irritant/Light Sensitive/Keep Cold; Light Sensitive
• RTECS: RG9700050
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥98.0% (GC); 98%
• Grade: purum
• Contains: copper pellets as stabilizer
• Linear Formula: CF3(CF2)7I

DETAILS

MP Biomedicals - 05225986

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 262544

Packaging
5, 25 g in glass bottle

Toronto Research Chemicals - P286505

Perfluorooctyl Iodide is a perfluoroalkyl iodide used in organocatalysis via substrate activation by halogen bonding. Perfluorooctyl Iodide is a potential candidate substitute for banned Halon fire extinguishers.

REFERENCES

• Bruckmann, A. et al.: Syn;ett, 6, 900 (2008)
• Tapscott, R.E. et al.: ACS Symp. Ser., 611, 151 (2008)