1,1,2,2-tetrafluoro-1-iodoethane

• ChemBase ID: 99237
• Molecular Formular: C2HF4I
• Molecular Mass: 227.9274228
• Monoisotopic Mass: 227.90591091
• SMILES: FC(F)C(F)(I)F
• Canonical SMILES: FC(C(I)(F)F)F
• InChI: InChI=1S/C2HF4I/c3-1(4)2(5,6)7/h1H
• InChIKey: PIFDIGQPGUUCSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2-tetrafluoro-1-iodoethane
• IUPAC Traditional name: 1,1,2,2-tetrafluoro-1-iodoethane
• Synonyms: 1,1,2,2-Tetrafluoro-1-iodoethane; 1,1,2,2-Tetrafluoroiodoethane; 1,1,2,2-Tetrafluoroethyl iodide; 1-Iodo-1,1,2,2-tetrafluoroethane; 2-Iodo-1H-perfluoroethane 97%; 1,1,2,2-四氟碘乙烷

Database IDs

• CAS Number: 354-41-6
• MDL Number: MFCD00069111
• Beilstein Number: 1736685
• PubChem SID: 162085523
• PubChem CID: 136180

CALCULATED PROPERTIES

• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.515
• LogD (pH = 7.4): 1.515
• Log P: 1.515
• Molar Refractivity: 24.9542 cm^3
• Polarizability: 9.989549 Å^3
• Polar Surface Area: 0.0 Å^2

PROPERTIES

Physical Property

• Boiling Point: 41-42°C; 41-42°C
• Flash Point: none°C
• Refractive Index: 1.3760

Safety Information

• Storage Warning: Light Sensitive; Toxic/Harmful/Light Sensitive/Keep Cold
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%, stab. with copper

DETAILS

Apollo Scientific Ltd - PC6783

Cylinder