bromotris(3,3,4,4,5,5,6,6,6-nonafluorohexyl)stannane

• ChemBase ID: 142320
• Molecular Formular: C18H12BrF27Sn
• Molecular Mass: 939.8497664
• Monoisotopic Mass: 939.87131832
• SMILES: C(C[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)Br)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(F)(F)F)(F)F)(F)F)(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)Br)F
• InChI: InChI=1S/3C6H4F9.BrH.Sn/c3*1-2-3(7,8)4(9,10)5(11,12)6(13,14)15;;/h3*1-2H2;1H;/q;;;;+1/p-1
• InChIKey: GHTDTEBNYTUTDL-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromotris(3,3,4,4,5,5,6,6,6-nonafluorohexyl)stannane
• IUPAC Traditional name: bromotris(3,3,4,4,5,5,6,6,6-nonafluorohexyl)stannane
• Synonyms: Bromotris(3,3,4,4,5,5,6,6,6-nonafluorohexyl)stannane; Tris(1H,1H,2H,2H-perfluorohexyl)tin bromide; Tris(3,3,4,4,5,5,6,6,6-nonafluorohexyl)tin bromide; 三(1H,1H,2H,2H-全氟己基)溴化锡; 溴三(3,3,4,4,5,5,6,6,6-壬氟己基)锡烷; 三(3,3,4,4,5,5,6,6,6-壬氟己基)溴化锡

Database IDs

• CAS Number: 240497-37-4
• MDL Number: MFCD03788372
• PubChem SID: 24850073; 162236550
• PubChem CID: 16211354

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 12.3696
• LogD (pH = 7.4): 12.3696
• Log P: 12.3696
• Molar Refractivity: 97.7098 cm^3
• Polarizability: 42.678005 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 18
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: 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: 26-28-60-61
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H332-H410
• GHS Precautionary statements: P273-P280-P501
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3082 9/PG 3

Product Information

• Purity: ~90%
• Empirical Formula (Hill Notation): C18H12BrF27Sn

DETAILS

Sigma Aldrich - 16445

Packaging
5 g in poly bottle
Legal Information
Product of Fluorous Technologies, Inc. Protected by U.S. patents 6,156,896; 5,859,247; and 5,777,123