Sodium tetrakis[3,5-bis(trifluoromethyl)phenyl]borate (NaBARF) - ≥95% , CAS No.79060-88-1

CAS: 79060-88-1 Cat. No.: S488762 Molecular Weight: 886.20 EC Number: 676-842-3 PubChem CID: 23681909

GRADE & PURITY ≥95%

Synonyms

SY046767 | C32H12BF24Na | Sodium tetrakis[3,5-bis(trifluoromethyl)phenyl]borate | Sodium tetrakis[3,5-bis(trifluoromethyl)phenyl]-borate | AKOS015900300 | AS-10729 | FT-0676911 | SCHEMBL226082 | AMY39139 | S0447 | MFCD00043323 | Sodium tetrakis[3,5-bis(tr

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Sodium tetrakis[3,5-bis(trifluoromethyl)phenyl]borate, also known as NaBArF, is widely used as a catalyst in the cyclopolymerization of functionalized trienes.NaBArF also acts as a precursor to synthesize other tetrakis[3,5-bis(trifluoromethyl)phenyl]borate (TFPB)-based reagents. Sodium tetrakis[3,5-bis(trifluoromethyl)phenyl]borate, also known as NaBAr′4, is a stable and highly soluble compound that has been used as a source of the [BArF] counterion in chemical synthesis. It has been found to be resistant to degradation by various oxidants and highly lipophilic. This compound has been used as a convenient reagent for the generation and stabilization of cationic electrophilic metal alkyl complexes. It has also been used in the living polymerization of ethylene, oligomerization of α-olefins, and olefin hydrogenation and hydrosilylation.

Specifications

Synonyms

SY046767 | C32H12BF24Na | Sodium tetrakis[3, 5-bis(trifluoromethyl)phenyl]borate | Sodium tetrakis[3, 5-bis(trifluoromethyl)phenyl]-borate | AKOS015900300 | AS-10729 | FT-0676911 | SCHEMBL226082 | AMY39139 | S0447 | MFCD00043323 | Sodium tetrakis[3, 5-bis(tr

Specifications & Purity

≥95%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488200516
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200516
• Canonical Smiles: [B-](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F.[Na+]
• IUPAC Name: sodium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
• InChIKey: LTGMONZOZHXAHO-UHFFFAOYSA-N
• INCHI: 1S/C32H12BF24.Na/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;/h1-12H;/q-1;+1
• Isomeric SMILES: [B-](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F.[Na+]
• PubChem CID: 23681909
• Molecular Weight: 886.20
• Reaxy-Rn: 5474788

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: Organic metalloid salts Organic metal halides Organometalloid compounds Organofluorides Organic sodium salts Hydrocarbon derivatives Alkyl fluorides Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trifluoromethylbenzene - Organic metal halide - Organic alkali metal salt - Organic metalloid salt - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organofluoride - Organic metalloid moeity - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic cation - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
• 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

• Sensitivity: Hygroscopic
• Melt Point(°C): 310℃
• Molecular Weight: 886.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 25
• Rotatable Bond Count: 0
• Exact Mass: 886.055 Da
• Monoisotopic Mass: 886.055 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 58
• Formal Charge: 0
• Complexity: 1060.000
• 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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