tris(3,3,4,4,5,5,6,6,6-nonafluorohexyl)(prop-2-en-1-yl)stannane

• ChemBase ID: 142324
• Molecular Formular: C21H17F27Sn
• Molecular Mass: 901.0175664
• Monoisotopic Mass: 901.99210648
• SMILES: C=CC[Sn](CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: C=CC[Sn](CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/3C6H4F9.C3H5.Sn/c3*1-2-3(7,8)4(9,10)5(11,12)6(13,14)15;1-3-2;/h3*1-2H2;3H,1-2H2
• InChIKey: TXGLPKAFRITSKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(3,3,4,4,5,5,6,6,6-nonafluorohexyl)(prop-2-en-1-yl)stannane
• IUPAC Traditional name: tris(3,3,4,4,5,5,6,6,6-nonafluorohexyl)(prop-2-en-1-yl)stannane
• Synonyms: Allyltris(1H,1H,2H,2H-perfluorohexyl)stannane; Tris(1H,1H,2H,2H-perfluorohexyl)allyltin; Allyltris(3,3,4,4,5,5,6,6,6-nonafluorohexyl)stannane; 三(1H,1H,2H,2H-全氟己基)烯丙基锡; 烯丙基三(1H,1H,2H,2H-全氟己基)锡烷; 烯丙基三(3,3,4,4,5,5,6,6,6-九氟己基)锡烷

Database IDs

• CAS Number: 215186-99-5
• MDL Number: MFCD03788368
• PubChem SID: 162236554; 24867328
• PubChem CID: 16212854

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 14.9944
• LogD (pH = 7.4): 14.9944
• Log P: 14.9944
• Molar Refractivity: 103.2736 cm^3
• Polarizability: 44.058964 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 20
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: >110 °C; >230 °F
• Density: 1.670 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3082
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 20/21/22-50/53
• Safety Statements: 36/37-60-61
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302 + H312 + H332-H410
• GHS Precautionary statements: P273-P280-P501
• RID/ADR: UN 3082 9/PG 3

Product Information

• Purity: ~90%
• Empirical Formula (Hill Notation): C21H17F27Sn

DETAILS

Sigma Aldrich - 43916

Packaging
1 g in poly bottle
Legal Information
Product of Fluorous Technologies, Inc. Protected by U.S. patents 6,156,896; 5,859,247; and 5,777,126