1-chloro-2-iodoethane

• ChemBase ID: 302205
• Molecular Formular: C2H4ClI
• Molecular Mass: 190.41063
• Monoisotopic Mass: 189.90462581
• SMILES: C(CI)Cl
• Canonical SMILES: ClCCI
• InChI: InChI=1S/C2H4ClI/c3-1-2-4/h1-2H2
• InChIKey: JTWWWQGSFTWWDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-2-iodoethane
• IUPAC Traditional name: 1-chloro-2-iodoethane
• Synonyms: Ethylene chloroiodide; 1-Chloro-2-iodoethane; 1-氯-2-碘乙烷

Database IDs

• CAS Number: 624-70-4
• EC Number: 000-000-0
• MDL Number: MFCD00041453
• Beilstein Number: 1730865

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.9603702
• LogD (pH = 7.4): 1.9603702
• Log P: 1.9603702
• Molar Refractivity: 29.0418 cm^3
• Polarizability: 11.606643 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 61-62°C/30mm
• Density: 2.088
• Refractive Index: 1.5660

Safety Information

• Storage Warning: Light Sensitive
• European Hazard Symbols: X
• Risk Statements: 22
• Safety Statements: 36
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301
• GHS Precautionary statements: P264-P270-P301+P310-P321-P405-P501A

Product Information

• Purity: 96%

REFERENCES

• Mild electrophile for iodination of metallated species, as in the conversion of an ortho-lithiated benzyl ether to the corresponding ortho-iodide: J. Chem. Soc., Chem. Commun., 124 (1979); J. Org. Chem., 47, 2541 (1982); J. Chem. Soc., Perkin 1, 115 (1985). See also 1,2-Diiodoethane, L03019.