Tetrabutylammonium Tetraphenylborate - ≥98%(HPLC) , CAS No.15522-59-5

CAS: 15522-59-5 Cat. No.: T162780 Molecular Weight: 561.71 Beilstein Registry Number: 3857220 EC Number: 239-562-9 PubChem CID: 3084234

GRADE & PURITY ≥98%(HPLC)

Synonyms

DTXSID30165858 | tetra-n-butylammonium tetraphenylborate | EINECS 239-562-9 | Tetraphenylboron tetrabutylammonium | 1-Butanaminium, N,N,N-tributyl-, tetraphenylborate(1-) (1:1) | J-009180 | HY-W111436 | T1480 | Tetrabutylammonium tetraphenylborate | tetra

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

DTXSID30165858 | tetra-n-butylammonium tetraphenylborate | EINECS 239-562-9 | Tetraphenylboron tetrabutylammonium | 1-Butanaminium, N, N, N-tributyl-, tetraphenylborate(1-) (1:1) | J-009180 | HY-W111436 | T1480 | Tetrabutylammonium tetraphenylborate | tetra

Specifications & Purity

≥98%(HPLC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: [B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CCCC[N+](CCCC)(CCCC)CCCC
• IUPAC Name: tetrabutylazanium;tetraphenylboranuide
• InChIKey: ZHCCBGAUZWZGQV-UHFFFAOYSA-N
• INCHI: 1S/C24H20B.C16H36N/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h1-20H;5-16H2,1-4H3/q-1;+1
• Isomeric SMILES: [B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CCCC[N+](CCCC)(CCCC)CCCC
• WGK Germany: 3
• PubChem CID: 3084234
• Molecular Weight: 561.71
• Beilstein: 3857220
• Reaxy-Rn: 3857215

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: Tetraalkylammonium salts Organometalloid compounds Hydrocarbon derivatives Amines Organic cations
• Molecular Framework: Not available
• Substituents: Monocyclic benzene moiety - Tetraalkylammonium salt - Quaternary ammonium salt - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic metalloid moeity - Amine - Organic cation - 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 pyridine, acetone, water.
• Sensitivity: Moisture sensitive.&light sensitive
• Melt Point(°C): 235 °C
• Molecular Weight: 561.700 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 16
• Exact Mass: 561.451 Da
• Monoisotopic Mass: 561.451 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 417.000
• 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

XLogP3

References

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