1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-iodoheptane

• ChemBase ID: 98739
• Molecular Formular: C7F15I
• Molecular Mass: 495.955418
• Monoisotopic Mass: 495.8805213
• SMILES: IC(C(F)(F)C(F)(C(C(F)(F)C(F)(C(F)(F)F)F)(F)F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F
• InChI: InChI=1S/C7F15I/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)23
• InChIKey: AHUMDLIBMIYQMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-iodoheptane
• IUPAC Traditional name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-iodoheptane
• Synonyms: Perfluoro(1-iodoheptane), 7-Iodo-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoroheptane; Perfluoroheptyl iodide 97%; PERFLUOROHEPTYL IODIDE; 1-Iodoperfluoroheptane; Perfluoro-n-heptyl iodide; Perfluoro-1-iodoheptane; 1-碘全氟庚烷

Database IDs

• CAS Number: 335-58-0
• EC Number: 206-393-7
• MDL Number: MFCD00013712
• Beilstein Number: 1806471
• PubChem SID: 162085111
• PubChem CID: 67633

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.4061
• LogD (pH = 7.4): 6.4061
• Log P: 6.4061
• Molar Refractivity: 49.1839 cm^3
• Polarizability: 19.709412 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 137-138°C; 137-138°C
• Density: 2.010
• Refractive Index: 1.3290

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Keep Cold; 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: 97%

DETAILS

MP Biomedicals - 05216626

MP Biomedicals Rare Chemical collection