1,1,1,2,2,3,3,4,4-nonafluoro-6-iodohexane

• ChemBase ID: 7258
• Molecular Formular: C6H4F9I
• Molecular Mass: 373.9860588
• Monoisotopic Mass: 373.92140211
• SMILES: FC(C(C(C(CCI)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: ICCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C6H4F9I/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h1-2H2
• InChIKey: CXHFIVFPHDGZIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2,3,3,4,4-nonafluoro-6-iodohexane
• IUPAC Traditional name: 1,1,1,2,2,3,3,4,4-nonafluoro-6-iodohexane
• Synonyms: 2-(Perfluorobutyl)ethyl iodide; 1-Iodo-1H,1H,2H,2H-perfluorohexane; 1H,1H,2H,2H-Perfluorohexyl iodide 95%; 1H,1H,2H,2H-Perfluorohexyl iodide; 1H,1H,2H,2H-Perfluorohexyl iodide; 1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodohexane; 1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodohexane; 1H,1H,2H,2H-Perfluoro-1-iodohexane; 1H,1H,2H,2H-全氟碘代己烷; 1,1,2,2-四氢全氟己基碘; 1-碘-1H,1H,2H,2H,-全氟己烷

Database IDs

• CAS Number: 2043-55-2
• EC Number: 218-055-6
• MDL Number: MFCD00039409
• Beilstein Number: 1870862
• PubChem SID: 24846064; 160970565
• PubChem CID: 74887

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.779115
• LogD (pH = 7.4): 4.779115
• Log P: 4.779115
• Molar Refractivity: 43.4504 cm^3
• Polarizability: 17.119223 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -25°C; -25°C
• Boiling Point: 138-140°C; 138-140°C
• Flash Point: >110°C; >110°C(230°F)
• Density: 1.94; 1.94 g/mL at 20 °C(lit.); 1.940
• Refractive Index: 1.3700; 1.3702; 1.374; n20/D 1.370

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; P280G-P305+P351+P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥95.0% (GC); 97%; 98%
• Grade: technical
• Empirical Formula (Hill Notation): C6H4F9I