tris(pentafluoroethyl)amine

• ChemBase ID: 9811
• Molecular Formular: C6F15N
• Molecular Mass: 371.046948
• Monoisotopic Mass: 370.97912231
• SMILES: N(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)C(C(F)(F)F)(F)F
• Canonical SMILES: FC(C(F)(F)F)(N(C(C(F)(F)F)(F)F)C(C(F)(F)F)(F)F)F
• InChI: InChI=1S/C6F15N/c7-1(8,9)4(16,17)22(5(18,19)2(10,11)12)6(20,21)3(13,14)15
• InChIKey: CBEFDCMSEZEGCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(pentafluoroethyl)amine
• IUPAC Traditional name: perfluoro-tri-n-ethylamine
• Synonyms: Perfluorotriethylamine; N,N-Bis(pentafluoroethyl)-1,1,2,2,2-pentafluoroethylamine; Pentadecafluorotriethylamine; Tris(perfluoroethyl)amine 96%; Perfluorotriethylamine; Tris(pentafluoroethyl)amine; Pentadecafluorotriethylamine; 三(五氟乙基)胺; 全氟三乙胺; 十五氟三乙胺

Database IDs

• CAS Number: 359-70-6
• EC Number: 206-632-5
• MDL Number: MFCD00166270
• Beilstein Number: 1813672
• PubChem SID: 24864686; 160973118
• PubChem CID: 78986

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.5998745
• LogD (pH = 7.4): 5.5998745
• Log P: 5.5998745
• Molar Refractivity: 38.0337 cm^3
• Polarizability: 13.995504 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 68-69 °C/743 mmHg(lit.); 68-69°C/743mm; 70°C
• Flash Point: none°C
• Density: 1.736; 1.736 g/mL at 25 °C(lit.)
• Refractive Index: 1.262; n20/D 1.262(lit.)
• Vapor Pressure: 2.15 psi ( 20 °C)

Safety Information

• Storage Warning: Corrosive/Irritant
• RTECS: KH2155170
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• TSCA Listed: false
• 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: ≥95.0% (GC); 96%
• Grade: purum
• Linear Formula: N(CF2CF3)3

DETAILS

Sigma Aldrich - 397156

Packaging
25 mL in ampule

Sigma Aldrich - 77306

Other Notes
Alternative solvent for Lewis acid catalyzed reactions which can be recycled (fluorous fluid)1