Potassium 4-acetylphenyltrifluoroborate - ≥97% , CAS No.252726-24-2

CAS: 252726-24-2 Cat. No.: P169047 Molecular Weight: 226.05 EC Number: 625-280-7 PubChem CID: 23665673

GRADE & PURITY ≥97%

Synonyms

SCHEMBL15920720 | Potassium 4-acetylphenyltrifluoroborate | V10177 | Potassium (4-acetylphenyl)(trifluoro)borate(1-) | POTASSIUM4-ACETYLPHENYLTRIFLUOROBORATE& | DTXSID00635412 | POTASSIUM (4-ACETYLPHENYL)TRIFLUOROBORATE | POTASSIUM 4-ACETYLPHENYLTRIFLUORO

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

SCHEMBL15920720 | Potassium 4-acetylphenyltrifluoroborate | V10177 | Potassium (4-acetylphenyl)(trifluoro)borate(1-) | POTASSIUM4-ACETYLPHENYLTRIFLUOROBORATE& | DTXSID00635412 | POTASSIUM (4-ACETYLPHENYL)TRIFLUOROBORATE | POTASSIUM 4-ACETYLPHENYLTRIFLUORO

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504769509
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769509
• Canonical Smiles: [B-](C1=CC=C(C=C1)C(=O)C)(F)(F)F.[K+]
• IUPAC Name: potassium;(4-acetylphenyl)-trifluoroboranuide
• InChIKey: JRUXIRSHKHCTTK-UHFFFAOYSA-N
• INCHI: 1S/C8H7BF3O.K/c1-6(13)7-2-4-8(5-3-7)9(10,11)12;/h2-5H,1H3;/q-1;+1
• Isomeric SMILES: [B-](C1=CC=C(C=C1)C(=O)C)(F)(F)F.[K+]
• WGK Germany: 3
• PubChem CID: 23665673
• Molecular Weight: 226.05

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Acetophenones Benzoyl derivatives Aryl alkyl ketones Boronic acid derivatives Organic metalloid salts Organic metal halides Organometalloid compounds Organic potassium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Benzenoid - Boronic acid derivative - Organic metalloid salt - Organic alkali metal salt - Organic metal halide - Organic salt - Organic metalloid moeity - Hydrocarbon derivative - Organic oxide - Organic potassium salt - Organic cation - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl 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

• Melt Point(°C): 290℃
• Molecular Weight: 226.050 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 226.018 Da
• Monoisotopic Mass: 226.018 Da
• Topological Polar Surface Area: 17.100 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: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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