Tetrabutylphosphonium Tetraphenylborate - ≥98% , CAS No.29089-62-1

CAS: 29089-62-1 Cat. No.: T162762 Molecular Weight: 578.67 PubChem CID: 14007839

GRADE & PURITY ≥98%

Synonyms

J-017384 | AKOS025295064 | T2008 | tetrabutylphosphanium;tetraphenylboranuide | Tetrabutylphosphonium Tetraphenylborate | A876529 | tetrabutyl-n-phosphonium tetraphenylborate | MFCD04038112 | D92565 | DTXSID00554194 | Tetrabutylphosphanium tetraphenylbora

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

J-017384 | AKOS025295064 | T2008 | tetrabutylphosphanium;tetraphenylboranuide | Tetrabutylphosphonium Tetraphenylborate | A876529 | tetrabutyl-n-phosphonium tetraphenylborate | MFCD04038112 | D92565 | DTXSID00554194 | Tetrabutylphosphanium tetraphenylbora

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504767549
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767549
• Canonical Smiles: [B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CCCC[P+](CCCC)(CCCC)CCCC
• IUPAC Name: tetrabutylphosphanium;tetraphenylboranuide
• InChIKey: OGWSZNMGVXKACZ-UHFFFAOYSA-N
• INCHI: 1S/C24H20B.C16H36P/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[P+](CCCC)(CCCC)CCCC
• PubChem CID: 14007839
• Molecular Weight: 578.67

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: Tetraalkylphosphonium compounds Organometalloid compounds Hydrocarbon derivatives Organic cations
• Molecular Framework: Not available
• Substituents: Monocyclic benzene moiety - Tetraalkylphosphonium compound - Hydrocarbon derivative - Organophosphorus compound - Organic metalloid moeity - 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: Insoluble in water; Soluble in Tetrahydrofuran,Acetone,Chloroform
• Sensitivity: Moisture sensitive
• Melt Point(°C): 230 °C
• Molecular Weight: 578.700 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 16
• Exact Mass: 578.421 Da
• Monoisotopic Mass: 578.421 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

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