fluoro[(fluorodioctylstannyl)methyl]dioctylstannane

• ChemBase ID: 157665
• Molecular Formular: C33H70F2Sn2
• Molecular Mass: 742.3077064
• Monoisotopic Mass: 744.34894668
• SMILES: CCCCCCCC[Sn](CCCCCCCC)(C[Sn](CCCCCCCC)(CCCCCCCC)F)F
• Canonical SMILES: CCCCCCCC[Sn](C[Sn](CCCCCCCC)(CCCCCCCC)F)(CCCCCCCC)F
• InChI: InChI=1S/4C8H17.CH2.2FH.2Sn/c4*1-3-5-7-8-6-4-2;;;;;/h4*1,3-8H2,2H3;1H2;2*1H;;/q;;;;;;;2*+1/p-2
• InChIKey: KNHZPNMTFJBTPD-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: fluoro[(fluorodioctylstannyl)methyl]dioctylstannane
• IUPAC Traditional name: fluoro[(fluorodioctylstannyl)methyl]dioctylstannane
• Synonyms: Bis(fluorodioctylstannyl)methane; Fluoride ionophore I; 双(氟二辛基甲锡烷基)甲烷; 氟离子载体 I

Database IDs

• CAS Number: 767355-17-9
• MDL Number: MFCD07785190
• PubChem SID: 162251802; 24845312
• PubChem CID: 16211029

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 12.3569
• LogD (pH = 7.4): 12.3569
• Log P: 12.3569
• Molar Refractivity: 159.7089 cm^3
• Polarizability: 71.59241 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 30
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3146
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 20/21/22-50/53
• Safety Statements: 36-60-61
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H332-H400
• GHS Precautionary statements: P273-P280
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3146 6.1/PG 3

Product Information

• Grade: Selectophore™
• Empirical Formula (Hill Notation): C33H70F2Sn2

DETAILS

Sigma Aldrich - 02536

General description
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Other Notes
Selective ionophore used for the determination of fluoride1,2
Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH