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

• ChemBase ID: 142321
• Molecular Formular: C24H12BrF39Sn
• Molecular Mass: 1239.8948048
• Monoisotopic Mass: 1239.85215696
• 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)Br)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)Br)F
• InChI: InChI=1S/3C8H4F13.BrH.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;1H;/q;;;;+1/p-1
• InChIKey: JUIMYMQITJQCCQ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromotris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannane
• IUPAC Traditional name: bromotris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannane
• Synonyms: Bromotris(3,3,4,4,5,5,6,6,7,7,8,8,8- tridecafluorooctyl)stannane; Tris(1H,1H,2H,2H-perfluorooctyl)tin bromide; Tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)tin bromide; 三(3,3,4,4,5,5,6,6,7,7,8,8,8-氟辛基)锡溴; 三(1H,1H,2H,2H-全氟辛基)锡溴; 溴化三(3,3,4,4,5,5,6,6,7,7,8,8,8-十三氟辛基)锡烷

Database IDs

• CAS Number: 175354-31-1
• MDL Number: MFCD01318179
• PubChem SID: 162236551; 24866736
• PubChem CID: 2733228

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 17.3766
• LogD (pH = 7.4): 17.3766
• Log P: 17.3766
• Molar Refractivity: 125.7178 cm^3
• Polarizability: 54.113842 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 24
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: >149 °C; >300.2 °F
• Density: 1.88 g/mL at 25 °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: 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): C24H12BrF39Sn

DETAILS

Sigma Aldrich - 42710

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 5,777,124