1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-iodohexane

• ChemBase ID: 6974
• Molecular Formular: C6F13I
• Molecular Mass: 445.9479116
• Monoisotopic Mass: 445.88371486
• SMILES: C(C(I)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F
• InChI: InChI=1S/C6F13I/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20
• InChIKey: BULLJMKUVKYZDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-iodohexane
• IUPAC Traditional name: hexane, tridecafluoro-6-iodo-
• Synonyms: Perfluoro-n-hexyl iodide; 1-Iodo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane; Perfluoro(1-iodohexane); Perfluorohexyl iodide 98%; 1-Iodoperfluorohexane; 1-Iodotridecafluorohexane; Tridecafluoro-1-iodohexane; Tridecafluorohexyl iodide; Perfluorohexyl iodide; Tridecafluoro-1-iodohexane; Perfluoro-n-hexyl iodide; Perfluoro-1-iodohexane; 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-iodohexane; 1-碘全氟己烷; 1-碘十三氟己烷; 全氟己基碘烷; 十三氟己基碘; 全氟己基碘; 全氟己基碘烷; 1-碘全氟己烷

Database IDs

• CAS Number: 355-43-1
• EC Number: 206-586-6
• MDL Number: MFCD00001063
• Beilstein Number: 1802118
• PubChem SID: 24887165; 24855861; 160970281
• PubChem CID: 67733

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.5716
• LogD (pH = 7.4): 5.5716
• Log P: 5.5716
• Molar Refractivity: 44.5159 cm^3
• Polarizability: 17.793913 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: -45°C; -45°C
• Boiling Point: 115-117°C; 117 °C(lit.); 117°C
• Flash Point: 115 °C; 239 °F; none°C
• Density: 2.063; 2.063 g/mL at 25 °C(lit.)
• Refractive Index: 1.326; 1.327; 1.3290; n20/D 1.329; n20/D 1.329(lit.)
• Hydrophobicity(logP): 3.88

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Keep Cold/Store under Argon; IRRITANT; Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: true; 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: ≥96.0% (GC); 95%; 95+%; 98+%, stab. with copper; 99%
• Grade: purum
• Linear Formula: CF3(CF2)5I

DETAILS

Sigma Aldrich - 262145

Packaging
5, 25 g in glass bottle