1,1,1,2,2-pentafluoro-2-iodoethane

• ChemBase ID: 9610
• Molecular Formular: C2F5I
• Molecular Mass: 245.917886
• Monoisotopic Mass: 245.8964891
• SMILES: C(C(F)(F)I)(F)(F)F
• Canonical SMILES: FC(C(F)(F)F)(I)F
• InChI: InChI=1S/C2F5I/c3-1(4,5)2(6,7)8
• InChIKey: UXPOJVLZTPGWFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2-pentafluoro-2-iodoethane
• IUPAC Traditional name: ethane, pentafluoroiodo-; pentafluoroethyl iodide
• Synonyms: Pentafluoroethyl iodide; Iodopentafluoroethane; Perfluoroethyl iodide; Pentafluoroiodoethane; 2-Iodo-1,1,1,2,2-pentafluoroethane; Perfluoroiodoethane; Perfluoroethyl iodide 98%; 五氟一碘乙烷; 全氟乙基碘; 五氟碘乙烷

Database IDs

• CAS Number: 354-64-3
• EC Number: 206-566-7
• MDL Number: MFCD00039400
• Beilstein Number: 1740331
• PubChem SID: 24859927; 160972917
• PubChem CID: 9636

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.2336
• LogD (pH = 7.4): 2.2336
• Log P: 2.2336
• Molar Refractivity: 25.8439 cm^3
• Polarizability: 10.145453 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 12-13 °C(lit.); 12-13°C
• Density: 2.07; 2.085; 2.085 g/mL at 25 °C(lit.)
• Refractive Index: 1.339; n20/D 1.339(lit.)
• Vapor Pressure: 738.9 mmHg ( 10 °C)

Safety Information

• Storage Warning: IRRITANT, GAS; Irritant/Light Sensitive/Keep Cold
• RTECS: KI6397500
• European Hazard Symbols: Irritant (Xi)
• UN Number: 1956
• German water hazard class: 3
• Hazard Class: 2.2
• Risk Statements: 36/37/38-44
• Safety Statements: 7-26-37/39-38
• TSCA Listed: false
• GHS Pictograms: GHS04; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H280-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338-P410 + P403
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1956 2.2
• Supplemental Hazard Statements: Risk of explosion if heated under confinement.

Product Information

• Purity: ≥97.0% (GC); 97%
• Grade: purum
• Linear Formula: CF3CF2I

DETAILS

Apollo Scientific Ltd - PC5600

Reagent for introduction of pentafluoroethyl groups intoorganic molecules: J.O.C., 1987,52, 2481.. Cylinder - 1/4" NPT connection

Sigma Aldrich - 331015

Packaging
25, 300 g in Sure-Pac™
Recommended products
Stainless steel hose adapter Z146838 or stainless steel body mini gas regulator Z513547 is recommended.