1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodooctane

• ChemBase ID: 7261
• Molecular Formular: C8H4F13I
• Molecular Mass: 474.0010716
• Monoisotopic Mass: 473.91501499
• SMILES: FC(C(C(C(C(C(CCI)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: ICCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C8H4F13I/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2
• InChIKey: NVVZEKTVIXIUKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodooctane
• IUPAC Traditional name: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodooctane
• Synonyms: 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane; 1H,1H,2H,2H-Perfluorooctyl iodide; 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl iodide; 1H,1H,2H,2H-Perfluorooctyl iodide; 8-Iodo-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane; 2-(Perfluorohex-1-yl)ethyl iodide; 1-Iodo-2-(perfluorohex-1-yl)ethane; 1-Iodo-1H,1H,2H,2H-tridecafluorooctane; 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane; 1-Iodo-1H,1H,2H,2H-perfluorooctane; 1H,1H,2H,2H-Perfluoro-1-iodooctane; 1H,1H,2H,2H-Perfluorooctyl iodide; 1,1,1,2,2,3,3,4,4,5,5,6,6-十三氟-8-碘辛烷; 1H,1H,2H,2H-全氟碘辛烷; 3,3,4,4,5,5,6,6,7,7,8,8,8-十三氟辛基碘; 8-碘-1,1,1,2,2,3,3,4,4,5,5,6,6-十三氟辛烷; 1H,1H,2H,2H-全氟碘辛烷; 1-碘-1H,1H,2H,2H-全氟辛烷

Database IDs

• CAS Number: 2043-57-4
• EC Number: 218-056-1
• MDL Number: MFCD00039410
• Beilstein Number: 1887105
• PubChem SID: 160970568; 24863072
• PubChem CID: 74888

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.180401
• LogD (pH = 7.4): 6.180401
• Log P: 6.180401
• Molar Refractivity: 52.7864 cm^3
• Polarizability: 20.919552 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 20.5°C; ca 20°C
• Boiling Point: 178-180°C; 178-180°C; 92 °C/45 mmHg(lit.)
• Flash Point: >150 °C; >302 °F; 150°C(302°F); 80°C
• Density: 1.91; 1.934 g/mL at 25 °C(lit.); 1.940
• Refractive Index: 1.36; 1.3600; n20/D 1.359(lit.)

Safety Information

• Storage Warning: Irritant/Light Sensitive/Store under Argon/Keep Cold; IRRITANT-HARMFUL; Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• 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: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 95%; 95+%; 96%; 97%, stab. with copper
• Linear Formula: CF3(CF2)5CH2CH2I

DETAILS

Apollo Scientific Ltd - PC6172

Stabilised with copper

Sigma Aldrich - 370517

Packaging
5, 25, 100 g in glass bottle