1,1,1,2,2,3,3-heptafluoro-4-iodobutane

• ChemBase ID: 9765
• Molecular Formular: C4H2F7I
• Molecular Mass: 309.9519724
• Monoisotopic Mass: 309.9089456
• SMILES: C(C(C(CI)(F)F)(F)F)(F)(F)F
• Canonical SMILES: ICC(C(C(F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C4H2F7I/c5-2(6,1-12)3(7,8)4(9,10)11/h1H2
• InChIKey: AFHPVXVEXINDFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2,3,3-heptafluoro-4-iodobutane
• IUPAC Traditional name: 1,1,1,2,2,3,3-heptafluoro-4-iodobutane
• Synonyms: 1H,1H-Heptafluorobutyl iodide; 1H,1H-Heptafluoro-1-iodobutane; 1H,1H-Heptafluorobutyl iodide 97%; 1H,1H-Heptafluoro-n-butyl iodide; 2,2,3,3,4,4,4-Heptafluoro-1-iodobutane; 2,2,3,3,4,4,4-七氟-1-碘丁烷

Database IDs

• CAS Number: 374-98-1
• EC Number: 206-779-5
• MDL Number: MFCD00013719
• Beilstein Number: 1761927
• PubChem SID: 160973072
• PubChem CID: 67806

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.4235606
• LogD (pH = 7.4): 3.4235606
• Log P: 3.4235606
• Molar Refractivity: 34.595 cm^3
• Polarizability: 13.605795 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 91-92°C; 91-92°C
• Flash Point: None; none°C
• Density: 2.054
• Refractive Index: 1.3625; 1.367

Safety Information

• Storage Warning: IRRITANT; Irritant/Light Sensitive/Keep Cold; Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 23-26-37
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P280G-P305+P351+P338

Product Information

• Purity: 96%; 97%