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

• ChemBase ID: 7875
• Molecular Formular: C10F21I
• Molecular Mass: 645.9779372
• Monoisotopic Mass: 645.87094062
• SMILES: FC(C(C(C(C(C(C(C(C(C(I)(F)F)(F)F)(F)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(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F
• InChI: InChI=1S/C10F21I/c11-1(12,3(15,16)5(19,20)7(23,24)9(27,28)29)2(13,14)4(17,18)6(21,22)8(25,26)10(30,31)32
• InChIKey: UDWBMXSQHOHKOI-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-10-iododecane
• 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-10-iododecane
• Synonyms: 1-Iodoperfluorodecane; Perfluorodecyl iodide 97%; Perfluorodecyl iodide; 1-IODOPERFLUORODECANE; Perfluorodecyl iodide; Perfluoro-n-decyl iodide; Perfluoro-1-iododecane; 全氟碘代癸烷; 1-碘全氟癸烷

Database IDs

• CAS Number: 423-62-1
• EC Number: 207-030-5
• MDL Number: MFCD00001065
• Beilstein Number: 1810506
• PubChem SID: 160971182; 24855610
• PubChem CID: 67920

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.9096
• LogD (pH = 7.4): 8.9096
• Log P: 8.9096
• Molar Refractivity: 63.1879 cm^3
• Polarizability: 25.458477 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 63-67°C; 65-67 °C(lit.); 65-67°C
• Boiling Point: 195-200 °C(lit.); 195-200°C; 195-200°C
• Flash Point: None; none°C
• Density: 1.8

Safety Information

• Storage Warning: IRRITANT; Irritant; Light Sensitive
• RTECS: HD8710000; MD8710000
• 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; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Linear Formula: CF3(CF2)9I

DETAILS

MP Biomedicals - 05216168

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 257842

Packaging
5 g in glass bottle