tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannane

• ChemBase ID: 142211
• Molecular Formular: C24H12F39Sn
• Molecular Mass: 1159.9908048
• Monoisotopic Mass: 1160.93381996
• SMILES: C(C[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)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](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)F
• InChI: InChI=1S/3C8H4F13.Sn/c3*1-2-3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21;/h3*1-2H2
• InChIKey: XWZMMYXGLVKSEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannane
• IUPAC Traditional name: tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannane
• Synonyms: Curran-Hadida reagent; Tris(1H,1H,2H,2H-perfluorooctyl)tin hydride; Tris[2-(perfluorohexyl)ethyl]tin hydride; Tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)tin hydride; Curran-Hadida 试剂; 三(1H,1H,2H,2H-全氟辛基)氢化锡; 三[2-(全氟己基)乙基]氢化锡; 三(3,3,4,4,5,5,6,6,7,7,8,8,8-十三氟辛基)氢化锡

Database IDs

• CAS Number: 175354-32-2
• MDL Number: MFCD00800579
• PubChem SID: 162236441; 24851185
• PubChem CID: 9963554

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 15.7493
• LogD (pH = 7.4): 15.7493
• Log P: 15.7493
• Molar Refractivity: 117.3206 cm^3
• Polarizability: 50.880512 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 24
• 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): C24H13F39Sn

DETAILS

Sigma Aldrich - 18587

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 5,777,122