1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-9-iodononane

• ChemBase ID: 142031
• Molecular Formular: C9H6F13I
• Molecular Mass: 488.0276516
• Monoisotopic Mass: 487.93066505
• SMILES: C(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CI
• Canonical SMILES: ICCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C9H6F13I/c10-4(11,2-1-3-23)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h1-3H2
• InChIKey: DBWLHXGWJWZTDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-9-iodononane
• IUPAC Traditional name: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-9-iodononane
• Synonyms: 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-9-iodononane; 1H,1H,2H,2H,3H,3H-Perfluorononyl iodide; 3-(Perfluorohexyl)propyl iodide; 4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononyl iodide; 1,1,1,2,2,3,3,4,4,5,5,6,6-十三氟-9-碘壬烷; 1H,1H,2H,2H,3H,3H-全氟壬基碘化物; 3-(全氟己基)丙基碘化物; 4,4,5,5,6,6,7,7,8,8,9,9,9-十三氟壬基碘化物

Database IDs

• CAS Number: 89889-20-3
• MDL Number: MFCD03788318
• PubChem SID: 162236262; 24850137
• PubChem CID: 13299942

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.2587185
• LogD (pH = 7.4): 6.2587185
• Log P: 6.2587185
• Molar Refractivity: 57.955 cm^3
• Polarizability: 22.533949 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Refractive Index: n20/D 1.369

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335-H413
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥97% (GC)
• Empirical Formula (Hill Notation): C9H6F13I

DETAILS

Sigma Aldrich - 16548

Packaging
1, 5 g in poly bottle
Legal Information
Product of Fluorous Technologies, Inc. Use of this compound may be protected by U.S. patents 6,156,896; 5,859,247; 5,777,121 and 6,673,539.