Potassium 2-Thienyltrifluoroborate - ≥98%(HPLC) , CAS No.906674-55-3

CAS: 906674-55-3 Cat. No.: P160813 Molecular Weight: 190.03 EC Number: 687-417-7 PubChem CID: 44630027

GRADE & PURITY ≥98%(HPLC)

Synonyms

Potassium 2-Thienyltrifluoroborate | AKOS012986700 | DTXSID80659838 | EN300-1253039 | POTASSIUM THIOPHENETRIFLUOROBORATE | AS-2519 | P1828 | Potassium2-Thienyltrifluoroborate | potassium trifluoro(thiophen-2-yl)boranuide | Potassium trifluoro(thiophen-2-y

Storage

Room temperature

Shipped In

Normal

Overview

Application

Organotrifluoroborate involved in:

A variety of cross-coupling reactions, Negishi cross coupling, Nickel-catalyzed cross-coupling, and Suzuki cross-coupling

C-O activation of phenol derivatives；

Specifications

Synonyms

Potassium 2-Thienyltrifluoroborate | AKOS012986700 | DTXSID80659838 | EN300-1253039 | POTASSIUM THIOPHENETRIFLUOROBORATE | AS-2519 | P1828 | Potassium2-Thienyltrifluoroborate | potassium trifluoro(thiophen-2-yl)boranuide | Potassium trifluoro(thiophen-2-y

Specifications & Purity

≥98%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488201046
• Canonical Smiles: [B-](C1=CC=CS1)(F)(F)F.[K+]
• IUPAC Name: potassium;trifluoro(thiophen-2-yl)boranuide
• InChIKey: LXOCUYMZBWNQQS-UHFFFAOYSA-N
• INCHI: 1S/C4H3BF3S.K/c6-5(7,8)4-2-1-3-9-4;/h1-3H;/q-1;+1
• Isomeric SMILES: [B-](C1=CC=CS1)(F)(F)F.[K+]
• PubChem CID: 44630027
• Molecular Weight: 190.03
• Reaxy-Rn: 10482575

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Heteroaromatic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Heteroaromatic compounds
• Alternative Parents: Thiophenes Boronic acid derivatives Organic metalloid salts Organic metal halides Organometalloid compounds Organic potassium salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Thiophene - 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 heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.
• 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

• Melt Point(°C): 245-265°C
• Molecular Weight: 190.040 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 189.964 Da
• Monoisotopic Mass: 189.964 Da
• Topological Polar Surface Area: 28.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 107.000
• 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