1-chloro-1,1,2-trifluoro-2-iodoethane

• ChemBase ID: 11878
• Molecular Formular: C2HClF3I
• Molecular Mass: 244.3820196
• Monoisotopic Mass: 243.87636037
• SMILES: C(C(F)I)(F)(F)Cl
• Canonical SMILES: FC(C(Cl)(F)F)I
• InChI: InChI=1S/C2HClF3I/c3-2(5,6)1(4)7/h1H
• InChIKey: XONGRFUEHPBOBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-1,1,2-trifluoro-2-iodoethane
• IUPAC Traditional name: 1-chloro-1,1,2-trifluoro-2-iodoethane
• Synonyms: 1-Chloro-2-iodo-1,1,2-trifluoroethane; 1-Chloro-2-iodo-1,1,2-trifluoroethane; 2-Chloro-1,2,2-trifluoroethyl iodide; 1-Chloro-2-iodo-1,1,2-trifluoroethane 97%; 1-氯-2-碘-1,1

Database IDs

• CAS Number: 354-26-7
• EC Number: 206-553-6
• MDL Number: MFCD00042138
• Beilstein Number: 1737257
• PubChem SID: 160975185
• PubChem CID: 78980

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.8561776
• LogD (pH = 7.4): 2.8561776
• Log P: 2.8561776
• Molar Refractivity: 29.359 cm^3
• Polarizability: 11.828997 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 77°C/630mm; 77°C
• Flash Point: none°C
• Density: 2.181
• Refractive Index: 1.432; 1.4320

Safety Information

• Storage Warning: IRRITANT; Irritant/Light Sensitive; Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 23-26-36
• TSCA Listed: false; 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%