bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannanone

• ChemBase ID: 142210
• Molecular Formular: C16H8F26OSn
• Molecular Mass: 828.8936032
• Monoisotopic Mass: 829.9181926
• SMILES: C(C[Sn](=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(CC[Sn](=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/2C8H4F13.O.Sn/c2*1-2-3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21;;/h2*1-2H2
• InChIKey: VCPJPAQHWCNPKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannanone
• IUPAC Traditional name: bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannanone
• Synonyms: Bis(1H,1H,2H,2H-perfluorooctyl)tin oxide; Bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)tin oxide; 双(1H,1H,2H,2H-全氟辛基)氧化锡; 双(3,3,4,4,5,5,6,6,7,7,8,8,8-十三氟辛基)氧化锡

Database IDs

• CAS Number: 324063-66-3
• MDL Number: MFCD03788366
• PubChem SID: 24867212; 162236440
• PubChem CID: 11491355

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 9.909313
• LogD (pH = 7.4): 9.909596
• Log P: 9.9096
• Molar Refractivity: 79.4313 cm^3
• Polarizability: 36.240612 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 92-94 °C

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: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ~90%
• Empirical Formula (Hill Notation): C16H8F26OSn

DETAILS

Sigma Aldrich - 43482

Packaging
1 g in poly bottle
Legal Information
Product of Fluorous Technologies, Inc. Use of this compound may be protected by U.S. patents 6,156,896; 5,859,247; 5,777,121 and 6,673,539.