difluoro(iodo)methane

• ChemBase ID: 11988
• Molecular Formular: CHF2I
• Molecular Mass: 177.9199164
• Monoisotopic Mass: 177.90910447
• SMILES: C(I)(F)F
• Canonical SMILES: FC(I)F
• InChI: InChI=1S/CHF2I/c2-1(3)4/h1H
• InChIKey: YSLFMGDEEXOKHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: difluoro(iodo)methane
• IUPAC Traditional name: difluoroiodomethane
• Synonyms: Difluoroiodomethane; Difluoromethyl iodide; Difluoro(iodo)methane 95%; Difluoromethyl iodide 10 wt. % solution in THF; Difluoroiodomethane 10 wt. % solution in THF

Database IDs

• CAS Number: 1493-03-4
• MDL Number: MFCD03094113
• PubChem SID: 160975295
• PubChem CID: 2775155

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.6246
• LogD (pH = 7.4): 1.6246
• Log P: 1.6246
• Molar Refractivity: 19.8061 cm^3
• Polarizability: 8.093948 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -122°C
• Boiling Point: 21.6°C; 22°C
• Flash Point: -17°C; none°C

Safety Information

• Storage Warning: Extremely Flammable/Carcinogenic/Irritant; Flammable/Irritant/Light Sensitive/Keep Cold; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%

DETAILS

Apollo Scientific Ltd - PC1283

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