Potassium (4-Methoxyphenyl)trifluoroborate - ≥98%(HPLC) , CAS No.192863-36-8

CAS: 192863-36-8 Cat. No.: P160812 Molecular Weight: 214.04 EC Number: 624-809-9 PubChem CID: 23683762

GRADE & PURITY ≥98%(HPLC)

Synonyms

AB17659 | 4-METHOXYPHENYLTRIFLUOROBORIC ACID POTASSIUM SALT | EN300-1253168 | potassium;trifluoro-(4-methoxyphenyl)boranuide | potassium-4-methoxyphenyltrifluoroborate | FT-0746082 | J-523031 | AS-2337 | potassium tris(fluoranyl)-(4-methoxyphenyl)boranuid

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Product Application：

It is applied in Suzuki Cross-Coupling using organotrifluoroborates as potent boronic acid surrogates.

Specifications

Synonyms

AB17659 | 4-METHOXYPHENYLTRIFLUOROBORIC ACID POTASSIUM SALT | EN300-1253168 | potassium;trifluoro-(4-methoxyphenyl)boranuide | potassium-4-methoxyphenyltrifluoroborate | FT-0746082 | J-523031 | AS-2337 | potassium tris(fluoranyl)-(4-methoxyphenyl)boranuid

Specifications & Purity

≥98%(HPLC)

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504769654
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769654
• Canonical Smiles: [B-](C1=CC=C(C=C1)OC)(F)(F)F.[K+]
• IUPAC Name: potassium;trifluoro-(4-methoxyphenyl)boranuide
• InChIKey: XNYMCUFKZHRYID-UHFFFAOYSA-N
• INCHI: 1S/C7H7BF3O.K/c1-12-7-4-2-6(3-5-7)8(9,10)11;/h2-5H,1H3;/q-1;+1
• Isomeric SMILES: [B-](C1=CC=C(C=C1)OC)(F)(F)F.[K+]
• WGK Germany: 3
• PubChem CID: 23683762
• Molecular Weight: 214.04
• Reaxy-Rn: 7783949

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Boronic acid derivatives Organic metalloid salts Organic metal halides Organometalloid compounds Organic potassium salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Boronic acid derivative - Organic metalloid salt - Ether - Organic metal halide - Organic alkali metal salt - Organic potassium salt - Organic salt - Organooxygen compound - Organic metalloid moeity - Organic oxygen compound - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): >300°C
• Molecular Weight: 214.040 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 214.018 Da
• Monoisotopic Mass: 214.018 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 145.000
• 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