4-Methylphenyltrifluoroboric acid potassium salt - ≥98% , CAS No.216434-82-1

CAS: 216434-82-1 Cat. No.: P113452 Molecular Weight: 198.03 EC Number: 624-810-4 PubChem CID: 23682258

GRADE & PURITY ≥98%

Synonyms

Potassium trifluoro(4-methylphenyl)borate | N11974 | A815570 | potassium;trifluoro-(4-methylphenyl)boranuide | AKOS009157405 | potassium trifluoro-(4-methylphenyl)boranuide | POTASSIUM TRIFLUORO(4-METHYLPHENYL)BORANUIDE | AS-2578 | POTASSIUM 4-METHYLPHENY

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

It can be used:
As a precursor/starting material for the synthesis of biaryl compounds by reacting with various aryl halides using Pd/C catalyst.
As a reagent in the carbonylative arylation of vinyl ketones via 1,4-addition.
As a substrate in the synthesis of primary arylamines by reacting with hydroxylamine-O-sulfonic acid under metal-free conditions.

Specifications

Synonyms

Potassium trifluoro(4-methylphenyl)borate | N11974 | A815570 | potassium;trifluoro-(4-methylphenyl)boranuide | AKOS009157405 | potassium trifluoro-(4-methylphenyl)boranuide | POTASSIUM TRIFLUORO(4-METHYLPHENYL)BORANUIDE | AS-2578 | POTASSIUM 4-METHYLPHENY

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

• Canonical Smiles: [B-](C1=CC=C(C=C1)C)(F)(F)F.[K+]
• IUPAC Name: potassium;trifluoro-(4-methylphenyl)boranuide
• InChIKey: KRWDYXJWQBTBAH-UHFFFAOYSA-N
• INCHI: 1S/C7H7BF3.K/c1-6-2-4-7(5-3-6)8(9,10)11;/h2-5H,1H3;/q-1;+1
• Isomeric SMILES: [B-](C1=CC=C(C=C1)C)(F)(F)F.[K+]
• WGK Germany: 3
• PubChem CID: 23682258
• Molecular Weight: 198.03
• Reaxy-Rn: 8290098

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Toluenes
• Alternative Parents: Boronic acid derivatives Organic metalloid salts Organic metal halides Organometalloid compounds Organic potassium salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Toluene - Boronic acid derivative - Organic metal halide - Organic alkali metal salt - Organic metalloid salt - Hydrocarbon derivative - Organic potassium salt - Organic salt - Organic metalloid moeity - Organic cation - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group.
• 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 water.
• Sensitivity: Moisture sensitive
• Melt Point(°C): 294 °C
• Molecular Weight: 198.040 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 198.023 Da
• Monoisotopic Mass: 198.023 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 129.000
• 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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