Tetrabutylammonium Difluorotriphenylstannate - ≥97%(T) , CAS No.139353-88-1

CAS: 139353-88-1 Cat. No.: T162779 Molecular Weight: 630.5 Beilstein Registry Number: 8668850 EC Number: 623-960-8 PubChem CID: 2733194

GRADE & PURITY ≥97%(T)

Synonyms

A807528 | fluoro(triphenyl)stannane;tetrabutylazanium;fluoride | ODMXVCNGZGLSRS-UHFFFAOYSA-L | SCHEMBL629527 | DTXSID00369785 | tetrabutylammonium triphenyldifluorotin | tetrabutylam-monium triphenyldifluorostannate | tetra-n-butylammonium difluorotriphen

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

A807528 | fluoro(triphenyl)stannane;tetrabutylazanium;fluoride | ODMXVCNGZGLSRS-UHFFFAOYSA-L | SCHEMBL629527 | DTXSID00369785 | tetrabutylammonium triphenyldifluorotin | tetrabutylam-monium triphenyldifluorostannate | tetra-n-butylammonium difluorotriphen

Specifications & Purity

≥97%(T)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%(T)

Names and Identifiers

• Pubchem Sid: 488192357
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192357
• Canonical Smiles: CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C(C=C1)[Sn-](C2=CC=CC=C2)(C3=CC=CC=C3)(F)F
• IUPAC Name: difluoro(triphenyl)stannanuide;tetrabutylazanium
• InChIKey: ODMXVCNGZGLSRS-UHFFFAOYSA-L
• INCHI: 1S/C16H36N.3C6H5.2FH.Sn/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;3*1-2-4-6-5-3-1;;;/h5-16H2,1-4H3;3*1-5H;2*1H;/q+1;;;;;;+1/p-2
• Isomeric SMILES: CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C(C=C1)[Sn-](C2=CC=CC=C2)(C3=CC=CC=C3)(F)F
• WGK Germany: 3
• PubChem CID: 2733194
• Molecular Weight: 630.5
• Beilstein: 8668850
• Reaxy-Rn: 8668854

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Metal aryls Triorganotin halide salts Organotin compounds Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Metal aryl - Monocyclic benzene moiety - Triorganotin halide salt - Organic metal salt - Hydrocarbon derivative - Organic tin salt - Organic salt - Organotin compound - Organometallic compound - Organic post-transition metal moeity - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in most organic solvents.
• Sensitivity: Moisture sensitive.
• Melt Point(°C): 193 °C
• Molecular Weight: 630.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 15
• Exact Mass: 631.301 Da
• Monoisotopic Mass: 631.301 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 401.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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