tributyl(pentafluoroethyl)stannane

• ChemBase ID: 143013
• Molecular Formular: C14H27F5Sn
• Molecular Mass: 409.057196
• Monoisotopic Mass: 410.10548596
• SMILES: CCCC[Sn](CCCC)(CCCC)C(C(F)(F)F)(F)F
• Canonical SMILES: CCCC[Sn](C(C(F)(F)F)(F)F)(CCCC)CCCC
• InChI: InChI=1S/3C4H9.C2F5.Sn/c3*1-3-4-2;3-1(4)2(5,6)7;/h3*1,3-4H2,2H3
• InChIKey: QXRRWXQWODQKRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tributyl(pentafluoroethyl)stannane
• IUPAC Traditional name: tributyl(pentafluoroethyl)stannane
• Synonyms: Tributyl(pentafluoroethyl)stannane; Tributyl(perfluoroethyl)stannane; 三丁基(五氟乙基)锡烷; 三丁基(全氟乙基)锡烷

Database IDs

• CAS Number: 1426-66-0
• MDL Number: MFCD04116432
• PubChem SID: 162237237
• PubChem CID: 2760677

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.3023
• LogD (pH = 7.4): 8.3023
• Log P: 8.3023
• Molar Refractivity: 70.1804 cm^3
• Polarizability: 31.10021 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 245-247 °C
• Flash Point: >110 °C; >230 °F
• Density: 1.253 g/mL at 25 °C
• Refractive Index: n20/D 1.430

Safety Information

• European Hazard Symbols: Harmful (Xn)
• UN Number: 2788
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 22
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• RID/ADR: UN 2788 6.1/PG 3

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C14H27F5Sn

DETAILS

Sigma Aldrich - 711063

Packaging
1 g in glass bottle