1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-11-iodoundecane

• ChemBase ID: 142035
• Molecular Formular: C11H6F17I
• Molecular Mass: 588.0426644
• Monoisotopic Mass: 587.92427793
• SMILES: C(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CI
• Canonical SMILES: ICCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C11H6F17I/c12-4(13,2-1-3-29)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-3H2
• InChIKey: AXUBYTAXJHIPJO-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-11-iodoundecane
• IUPAC Traditional name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-11-iodoundecane
• Synonyms: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-11-iodoundecane; 1H,1H,2H,2H,3H,3H-Perfluoroundecyl iodide; 3-(Perfluorooctyl)propyl iodide; 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecyl iodide; 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-十七氟-11-碘十一烷; 1H,1H,2H,2H,3H,3H-全氟十一烷基碘; 3-(全氟辛基)丙基碘; 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-十七氟十一烷基碘

Database IDs

• CAS Number: 200112-75-0
• MDL Number: MFCD03788336
• PubChem SID: 24885848; 162236266
• PubChem CID: 11157582

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.660004
• LogD (pH = 7.4): 7.660004
• Log P: 7.660004
• Molar Refractivity: 67.291 cm^3
• Polarizability: 26.333878 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 32-36 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335-H413
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99%
• Empirical Formula (Hill Notation): C11H6F17I

DETAILS

Sigma Aldrich - 68794

Packaging
1, 5 g in poly bottle
Legal Information
Use of this compound may be protected by U.S. patents 6,156,896; 5,859,247; 5,777,121 and 6,673,539.