3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene

• ChemBase ID: 7719
• Molecular Formular: C8H3F13
• Molecular Mass: 346.0886616
• Monoisotopic Mass: 346.00271696
• SMILES: C(C(C(C(C(C(C=C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F
• Canonical SMILES: C=CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C8H3F13/c1-2-3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h2H,1H2
• InChIKey: FYQFWFHDPNXORA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene
• IUPAC Traditional name: 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene
• Synonyms: (Perfluorohexyl)ethylene; 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooct-1-ene; 1H,1H,2H-Perfluorooct-1-ene 99%; 1H,1H,2H-Perfluoro-1-octene; 1H,1H,2H-Perfluoro-1-octene; 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octene; 1H,1H,2H-Perfluoro-1-octene; 1H,1H,2H-全氟-1-辛烯; 3,3,4,4,5,5,6,6,7,7,8,8,8-十三氟-1-辛烯; 1H,1H,2H-全氟-1-辛烯

Database IDs

• CAS Number: 25291-17-2
• EC Number: 246-791-8
• MDL Number: MFCD00039249
• Beilstein Number: 2060994
• PubChem SID: 160971026; 24863075
• PubChem CID: 91384

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.3610845
• LogD (pH = 7.4): 5.3610845
• Log P: 5.3610845
• Molar Refractivity: 39.9218 cm^3
• Polarizability: 15.12812 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 102°C; 102-104 °C(lit.); 106-107°C; 106-107°C
• Flash Point: 20 °C; 20°C; 20°C(202°F); 68 °F
• Density: 1.52 g/mL at 25 °C(lit.); 1.520; 1.580
• Refractive Index: 1.2950; 1.2960; n20/D 1.295(lit.)

Safety Information

• Storage Warning: Highly Flammable/Irritant/Keep Cold; IRRITANT, FLAMMABLE
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-36/37/38
• Safety Statements: 16-26-36/37/39
• TSCA Listed: true; 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H315-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 2

Product Information

• Purity: 98%; 99%
• Linear Formula: CF3(CF2)5CH=CH2

DETAILS

MP Biomedicals - 05204944

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 370568

Packaging
5, 25 g in glass bottle