3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene

• ChemBase ID: 98754
• Molecular Formular: C6H3F9
• Molecular Mass: 246.0736488
• Monoisotopic Mass: 246.00910408
• SMILES: FC(F)(F)C(F)(C(F)(F)C(C=C)(F)F)F
• Canonical SMILES: C=CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C6H3F9/c1-2-3(7,8)4(9,10)5(11,12)6(13,14)15/h2H,1H2
• InChIKey: GVEUEBXMTMZVSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene
• IUPAC Traditional name: 3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene
• Synonyms: (Nonafluorobutyl)ethylene; 1H,1H,2H-Nonafluorohex-1-ene 97%; 3,3,4,4,5,5,6,6,6-Nonafluoro-1-hexene; 1H,1H,2H-Perfluoro-1-hexene; 1H,1H,2H-Perfluoro-1-hexene; Zonyl® PFBE fluorotelomer intermediate; 3,3,4,4,5,5,6,6,6-九氟-1-己烯; Zonyl® PFBE 氟调聚物中间体; 1H,1H,2H-全氟-1-己烯; 1H,1H,2H-全氟-1-己烯; Zonyl® PFBE 氟调聚物中间体

Database IDs

• CAS Number: 19430-93-4
• EC Number: 243-053-7
• MDL Number: MFCD00042338
• Beilstein Number: 1819716
• PubChem SID: 24866379; 24863109; 162085123
• PubChem CID: 88054

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.959799
• LogD (pH = 7.4): 3.959799
• Log P: 3.959799
• Molar Refractivity: 30.5858 cm^3
• Polarizability: 11.312015 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: acetone, MEK and trichloroethylene: soluble
• Boiling Point: 59°C; 59-60 °C(lit.); 59-60°C
• Flash Point: 1.4 °F; -17 °C; None
• Density: 1.452 g/mL at 25 °C(lit.); 1.457
• Refractive Index: 1.289; 1.2890; n20/D 1.3(lit.)
• Vapor Density: 8.5 (vs air)

Safety Information

• Storage Warning: Flammable
• RTECS: MP7360000
• European Hazard Symbols: Flammable (F)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11
• Safety Statements: 16-29-33
• TSCA Listed: 是
• GHS Pictograms: GHS02
• GHS Signal Word: Danger
• GHS Hazard statements: H225
• GHS Precautionary statements: P210
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1993 3/PG 2

Product Information

• Purity: 97%; 99%
• Compostion: fluorine, 70 wt. %
• Mol. Weight: average Mn 246
• Linear Formula: CH2=CH(CF2)3CF3

DETAILS

Sigma Aldrich - 421502

Packaging
25 mL in poly bottle
Legal Information
DuPont Product
Zonyl is a registered trademark of E. I. du Pont de Nemours and Company

Sigma Aldrich - 371459

Packaging
25 g in glass bottle