1,1,1-trifluoro-2-iodoethane

• ChemBase ID: 7015
• Molecular Formular: C2H2F3I
• Molecular Mass: 209.9369596
• Monoisotopic Mass: 209.91533272
• SMILES: ICC(F)(F)F
• Canonical SMILES: ICC(F)(F)F
• InChI: InChI=1S/C2H2F3I/c3-2(4,5)1-6/h1H2
• InChIKey: RKOUFQLNMRAACI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1-trifluoro-2-iodoethane
• IUPAC Traditional name: 1,1,1-trifluoro-2-iodoethane
• Synonyms: 2-Iodo-1,1,1-trifluoroethane; 2,2,2-Trifluoroethyl iodide; 1-Iodo-2,2,2-trifluoroethane 99%; TRIFLUOROETHYL IODIDE; 2,2,2-Trifluoroiodoethane; 1,1,1-trifluoro-2-iodoethane; 2-Iodo-1,1,1-trifluoroethane; 1,1,1-Trifluoro-2-iodoethane; 2-碘-1,1,1-三氟乙烷; 2,2,2-三氟乙基碘; 2-碘-1,1,1-三氟乙烷; 1,1,1-三氟-2-碘乙烷

Database IDs

• CAS Number: 353-83-3
• EC Number: 206-541-0
• MDL Number: MFCD00001082
• Beilstein Number: 1733201
• PubChem SID: 24850691; 160970322
• PubChem CID: 67709

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.2326186
• LogD (pH = 7.4): 2.2326186
• Log P: 2.2326186
• Molar Refractivity: 24.8454 cm^3
• Polarizability: 9.822673 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 53-55°C; 53-55°C; 54.8 °C(lit.); 55-56°C
• Flash Point: none°C
• Density: 2.13; 2.13 g/mL at 25 °C(lit.); 2.142; 2.149
• Refractive Index: 1.4001; 1.4009; 1.401; n20/D 1.401(lit.)
• Vapor Pressure: 3.96 psi ( 20 °C)
• Hydrophobicity(logP): 2.244

Safety Information

• Storage Warning: IRRITANT; Irritant/Light Sensitive/Keep Cold; Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; R:36/37/38
• Safety Statements: 26-36; 26-37; S:20-25-26-37/39
• TSCA Listed: false; 否
• 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)

Product Information

• Purity: 95%; 97%; 99%
• Contains: copper as stabilizer
• Linear Formula: CF3CH2I

DETAILS

MP Biomedicals - 05219313

MP Biomedicals Rare Chemical collection

Apollo Scientific Ltd - PC7370

Stabilised with copper powder

Sigma Aldrich - 177814

Packaging
5, 25 g in glass bottle

REFERENCES

• Forms trifluoromethyl derivatives by free radical addition to terminal alkenes: Synthesis, 409 (1992).