1-fluoro-2-iodoethane

• ChemBase ID: 7194
• Molecular Formular: C2H4FI
• Molecular Mass: 173.9560332
• Monoisotopic Mass: 173.93417635
• SMILES: C(I)CF
• Canonical SMILES: FCCI
• InChI: InChI=1S/C2H4FI/c3-1-2-4/h1-2H2
• InChIKey: LVYJIIRJQDEGBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-fluoro-2-iodoethane
• IUPAC Traditional name: ethane, 1-fluoro-2-iodo-
• Synonyms: 2-Fluoro-1-iodoethane; 1-Fluoro-2-iodoethane 98%; 1-Fluoro-2-iodoethane

Database IDs

• CAS Number: 762-51-6
• MDL Number: MFCD00748131
• PubChem SID: 160970501
• PubChem CID: 69804

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.49687
• LogD (pH = 7.4): 1.49687
• Log P: 1.49687
• Molar Refractivity: 24.2987 cm^3
• Polarizability: 9.643573 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 98-102°C
• Flash Point: none°C
• Density: 2.136

Safety Information

• Storage Warning: KEEP COLD, TOXIC; Toxic/Light Sensitive/Keep Cold
• TSCA Listed: false

Product Information

• Purity: 98%