1,1,1,2,2-pentafluoro-3-iodopropane

• ChemBase ID: 98559
• Molecular Formular: C3H2F5I
• Molecular Mass: 259.944466
• Monoisotopic Mass: 259.91213916
• SMILES: ICC(C(F)(F)F)(F)F
• Canonical SMILES: ICC(C(F)(F)F)(F)F
• InChI: InChI=1S/C3H2F5I/c4-2(5,1-9)3(6,7)8/h1H2
• InChIKey: HENALDZJQYAUBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2-pentafluoro-3-iodopropane
• IUPAC Traditional name: 1,1,1,2,2-pentafluoro-3-iodopropane
• Synonyms: 1-Iodo-2,2,3,3,3-pentafluoropropane; 2,2,3,3,3-Pentafluoro-n-propyl iodide; 1,1,1,2,2-Pentafluoro-3-iodopropane; 2,2,3,3,3-Pentafluoroprop-1-yl iodide; 3-Iodo-1,1,1,2,2-pentafluoropropane 98%; 1,1,1,2,2-五氟-3-碘代丙烷

Database IDs

• CAS Number: 354-69-8
• EC Number: 206-568-8
• MDL Number: MFCD00039405
• Beilstein Number: 1700278
• PubChem SID: 162084967
• PubChem CID: 67721

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.7229178
• LogD (pH = 7.4): 2.7229178
• Log P: 2.7229178
• Molar Refractivity: 29.927 cm^3
• Polarizability: 11.708441 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 70-71°C; 70-71°C
• Flash Point: none°C
• Refractive Index: 1.373; 1.3730

Safety Information

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

Product Information

• Purity: 96%