1,1,1,3,4,4,5,5,5-nonafluoro-2-(trifluoromethyl)pent-2-ene

• ChemBase ID: 10333
• Molecular Formular: C6F12
• Molecular Mass: 300.0450384
• Monoisotopic Mass: 299.98083864
• SMILES: C(=C(C(F)(F)F)C(F)(F)F)(C(C(F)(F)F)(F)F)F
• Canonical SMILES: FC(=C(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)(F)F
• InChI: InChI=1S/C6F12/c7-2(3(8,9)6(16,17)18)1(4(10,11)12)5(13,14)15
• InChIKey: FAEGGADNHFKDQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,3,4,4,5,5,5-nonafluoro-2-(trifluoromethyl)pent-2-ene
• IUPAC Traditional name: 1,1,1,3,4,4,5,5,5-nonafluoro-2-(trifluoromethyl)pent-2-ene
• Synonyms: Nonafluoro-2-(trifluoromethyl)pent-2-ene; Perfluoro(2-methylpent-2-ene) 99%; Dodecafluoro(2-methyl-2-pentene); Perfluoro(2-methyl-2-pentene); Perfluoro(2-methylpent-2-ene); Dodecafluoro-2-methyl-2-pentene; Perfluoro-2-methyl-2-pentene; 1,1,1,3,4,4,5,5,5-nonafluoro-2-(trifluoromethyl)pent-2-ene; 全氟(2-甲基-2-戊烯); 十二氟-2-甲基-2-戊烯; 全氟-2-甲基-2-戊烯

Database IDs

• CAS Number: 1584-03-8
• EC Number: 216-436-1
• MDL Number: MFCD00015724
• PubChem SID: 160973640; 24862468
• PubChem CID: 74105

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.6927845
• LogD (pH = 7.4): 3.6927845
• Log P: 3.6927845
• Molar Refractivity: 33.1981 cm^3
• Polarizability: 11.832373 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 48-54°C; 48-54°C; 53-61 °C(lit.)
• Flash Point: 10.4 °F; -12 °C; -12°C; -12°C(10°F)
• Density: 1.62; 1.620; 1.622; 1.622 g/mL at 25 °C(lit.)
• Refractive Index: ca. 1.3
• Vapor Pressure: 4.31 psi ( 20 °C)
• Hydrophobicity(logP): 1.68

Safety Information

• Storage Warning: Highly Flammable; IRRITANT
• European Hazard Symbols: Flammable (F)
• UN Number: 1993; UN1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11
• Safety Statements: 16-29-33; 33
• TSCA Listed: false; 否
• GHS Pictograms: GHS02
• GHS Signal Word: Danger
• GHS Hazard statements: H225
• GHS Precautionary statements: P210; P210-P241-P280-P303+P361+P353-P403+P235-P501A
• 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: 90%; 95%; 97%; 98%
• Linear Formula: C2F5CF=C(CF3)2

DETAILS

Apollo Scientific Ltd - PC6122P

Contains 5-10% Perfluoro(4-methylpent-2-ene)