prop-2-en-1-yltris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannane

• ChemBase ID: 135800
• Molecular Formular: C27H17F39Sn
• Molecular Mass: 1201.0626048
• Monoisotopic Mass: 1201.97294512
• SMILES: C=CC[Sn](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: C=CC[Sn](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/3C8H4F13.C3H5.Sn/c3*1-2-3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21;1-3-2;/h3*1-2H2;3H,1-2H2
• InChIKey: RMDIHFFKXXTNGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: prop-2-en-1-yltris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannane
• IUPAC Traditional name: prop-2-en-1-yltris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannane
• Synonyms: Allyltris(1H,1H,2H,2H-perfluorooctyl)stannane; Tris(1H,1H,2H,2H-perfluorooctyl)allyltin; Allyltris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannane; 三(1H,1H,2H,2H-全氟辛基)烯丙基锡; 烯丙基三(1H,1H,2H,2H-全氟辛基)锡烷; 烯丙基三(3,3,4,4,5,5,6,6,7,7,8,8,8-十三氟辛基)锡烷

Database IDs

• CAS Number: 192212-66-1
• MDL Number: MFCD03788379
• PubChem SID: 162230071; 24878520
• PubChem CID: 10510526

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 20.0014
• LogD (pH = 7.4): 20.0014
• Log P: 20.0014
• Molar Refractivity: 131.2816 cm^3
• Polarizability: 55.434155 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 26
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/37/38-53
• Safety Statements: 61
• 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: ~90%
• Empirical Formula (Hill Notation): C27H17F39Sn

DETAILS

Sigma Aldrich - 54114

Legal Information
Product of Fluorous Technologies, Inc. Protected by U.S. patents 6,156,896; 5,859,247; and 5,777,127