1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-12-iodododecane

• ChemBase ID: 7256
• Molecular Formular: C12H4F21I
• Molecular Mass: 674.0310972
• Monoisotopic Mass: 673.90224075
• SMILES: C(C(C(C(C(C(C(C(C(C(CCI)(F)F)(F)F)(F)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(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C12H4F21I/c13-3(14,1-2-34)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h1-2H2
• InChIKey: HVWXRMINOYZYCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-12-iodododecane
• IUPAC Traditional name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-12-iodododecane
• Synonyms: 1-Iodo-1H,1H,2H,2H-perfluorododecane; 2-(Perfluorodecyl)ethyl iodide; 1H,1H,2H,2H-Perfluorododecyl iodide 97%; 1H,1H,2H,2H-Perfluorododecyl iodide; 1H,1H,2H,2H-Perfluorododecyl iodide; 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-Henicosafluoro-12-iodododecane; 1H,1H,2H,2H-Perfluoro-1-iodododecane; 1-碘-1H,1H,2H,2H-全氟十二烷; 1H,1H,2H,2H-全氟十二烷基碘化物; 1,1,2,2-四氢全氟碘代十二烷; 1-碘-1H,1H,2H,2H-全氟十二烷

Database IDs

• CAS Number: 2043-54-1
• EC Number: 218-054-0
• MDL Number: MFCD00039412
• Beilstein Number: 1897869
• PubChem SID: 160970563; 24889590
• PubChem CID: 74886

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.982971
• LogD (pH = 7.4): 8.982971
• Log P: 8.982971
• Molar Refractivity: 71.4584 cm^3
• Polarizability: 28.552866 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 82-83°C; 85-87°C
• Boiling Point: 108°C/10mm; 108°C/10mm
• Density: 1.820
• Refractive Index: 1.324

Safety Information

• Storage Warning: IRRITANT; Irritant/Light Sensitive/Store under Argon/Keep Cold; Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26; 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: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥95.0% (GC); 97%
• Linear Formula: CF3(CF2)9CH2CH2I

DETAILS

Sigma Aldrich - 91987

Other Notes
Building block to introduce a fluorinated "pony tail" in compounds for fluorous phase ?immobilization? by fluorous phase partition1,2,3
Packaging
2.5 g in glass bottle