hexadecafluoroheptane

• ChemBase ID: 98710
• Molecular Formular: C7F16
• Molecular Mass: 388.0493512
• Monoisotopic Mass: 387.97445152
• SMILES: FC(C(F)(C(F)(F)C(F)(F)C(F)(F)C(C(F)(F)F)(F)F)F)(F)F
• Canonical SMILES: FC(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C7F16/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)23
• InChIKey: LGUZHRODIJCVOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexadecafluoroheptane
• IUPAC Traditional name: perfluoroheptane
• Synonyms: Perfluoroheptane; Hexadecafluoroheptane; Perfluoroheptanes, mixed isomers; Perfluoroheptane (mixed isomers) 97%; 全氟庚烷; 十六氟庚烷; 全氟庚烷, 异构体混合物

Database IDs

• CAS Number: 335-57-9
• EC Number: 206-392-1
• MDL Number: MFCD00040339
• Beilstein Number: 1716335
• PubChem SID: 24863303; 162085092; 24887163
• PubChem CID: 9553

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.584931
• LogD (pH = 7.4): 5.584931
• Log P: 5.584931
• Molar Refractivity: 36.2092 cm^3
• Polarizability: 14.376442 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 80-82°C; 80-84°C; 82-84 °C(lit.)
• Flash Point: none°C
• Density: 1.720; 1.745; 1.745 g/mL at 25 °C(lit.)
• Refractive Index: 1.265; 1.2650; n20/D 1.3(lit.)

Safety Information

• Storage Warning: Irritant
• RTECS: MJ0875000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ~80% perfluoro-n-heptane basis; 85%; 98%
• Grade: technical; technical grade
• Linear Formula: CF3(CF2)5CF3

DETAILS

Sigma Aldrich - 374369

Application
Employed in solution-phase studies of perfluoropolyalkylene oligomers1 and in the preparation of fluorinated gel emulsions.2
Packaging
10 mL in glass bottle