Potassium (2-bromo-2-phenylvinyl)trifluoroborate - ≥97%, Stabilized with TBC , CAS No.219718-89-5

CAS: 219718-89-5 Cat. No.: P966953 Molecular Weight: 288.940

GRADE & PURITY ≥97%, Stabilized with TBC

Storage

Room temperature

Specifications

Specifications & Purity

≥97%, Stabilized with TBC

Storage

Room temperature

Purity

≥97%

Names and Identifiers

• Canonical Smiles: [B-](/C=C(/C1=CC=CC=C1)\Br)(F)(F)F.[K+]
• IUPAC Name: potassium;[(Z)-2-bromo-2-phenylethenyl]-trifluoroboranuide
• InChIKey: KSODWGWQNMCMLU-PHZXCRFESA-N
• INCHI: 1S/C8H6BBrF3.K/c10-8(6-9(11,12)13)7-4-2-1-3-5-7;/h1-6H;/q-1;+1/b8-6-
• Molecular Weight: 288.940

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Styrenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Styrenes
• Alternative Parents: Boronic acid derivatives Vinyl bromides Organic metalloid salts Organic metal halides Bromoalkenes Organometalloid compounds Organobromides Organic potassium salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Styrene - Boronic acid derivative - Organic metal halide - Organic alkali metal salt - Organic metalloid salt - Bromoalkene - Haloalkene - Vinyl bromide - Vinyl halide - Hydrocarbon derivative - Organohalogen compound - Organic salt - Organic potassium salt - Organobromide - Organic metalloid moeity - Organic cation - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety.
• 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

• Molecular Weight: 288.940 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 287.934 Da
• Monoisotopic Mass: 287.934 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 199.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

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