1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-iododecane

• ChemBase ID: 7260
• Molecular Formular: C10H4F17I
• Molecular Mass: 574.0160844
• Monoisotopic Mass: 573.90862787
• SMILES: FC(C(C(C(C(C(C(C(CCI)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: ICCC(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/C10H4F17I/c11-3(12,1-2-28)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2H2
• InChIKey: XVKJSLBVVRCOIT-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-10-iododecane
• IUPAC Traditional name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-iododecane
• Synonyms: 1H,1H,2H,2H-Perfluorodecyl iodide; 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-10-iododecane; 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-10-iododecane; 1H,1H,2H,2H-Perfluoro-1-decyl iodide; 1-Iodo-1H,1H,2H,2H-perfluorodecane; 2-(Perfluorooctyl)ethyl iodide; 1-Iodo-1H,1H,2H,2H-perfluorodecane; 1H,1H,2H,2H-Perfluorodecyl iodide 97%; 1H,1H,2H,2H-Perfluoro-1-iododecane; 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-十七氟-10-碘癸烷; 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-十七氟-10-碘癸烷; 1-碘-1H,1H,2H,2H-全氟癸烷; 1H,1H,2H,2H-全氟癸基碘烷; 1-碘-1H,1H,2H,2H-全氟癸烷

Database IDs

• CAS Number: 2043-53-0
• EC Number: 218-053-5
• MDL Number: MFCD00039411
• Beilstein Number: 1894667
• PubChem SID: 160970567; 24887348; 24863073
• PubChem CID: 74885

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.581686
• LogD (pH = 7.4): 7.581686
• Log P: 7.581686
• Molar Refractivity: 62.1224 cm^3
• Polarizability: 24.732702 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 53-57°C; 53-57°C; 54-58 °C; 54-58 °C(lit.); 55-57°C
• Boiling Point: 178-180°C; 226°C; 92-96°C/12mm
• Flash Point: None
• Density: 1.88

Safety Information

• Storage Warning: Irritant/Light Sensitive/Store under Argon/Keep Cold; IRRITANT-HARMFUL; Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37; 26-37/39
• TSCA Listed: true; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280G-P305+P351+P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: >95.0% (GC); 96%; 97%
• Grade: purum
• Linear Formula: CF3(CF2)7CH2CH2I

DETAILS

Sigma Aldrich - 370525

Packaging
5, 25 g in glass bottle

Sigma Aldrich - 80219

Other Notes
Preparation of new highly fluorophilic ligands for fluorous biphase catalysis1,2,3