Potassium (2-Formylphenyl)trifluoroborate - ≥98%(T) , CAS No.192863-39-1

CAS: 192863-39-1 Cat. No.: P160811 Molecular Weight: 212.02 EC Number: 678-467-0 PubChem CID: 23707582

GRADE & PURITY ≥98%(T)

Synonyms

EN300-7363396 | POTASSIUM TRIFLUORO(2-FORMYLPHENYL)BORANUIDE | Potassium trifluoro(2-formylphenyl)borate(1-) | AS-2320 | Potassium trifluoro(2-formylphenyl)borate | Borate(1-), trifluoro(2-formylphenyl)-, potassium (1:1), (T-4)- | SCHEMBL10325506 | AKOS01

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

EN300-7363396 | POTASSIUM TRIFLUORO(2-FORMYLPHENYL)BORANUIDE | Potassium trifluoro(2-formylphenyl)borate(1-) | AS-2320 | Potassium trifluoro(2-formylphenyl)borate | Borate(1-), trifluoro(2-formylphenyl)-, potassium (1:1), (T-4)- | SCHEMBL10325506 | AKOS01

Specifications & Purity

≥98%(T)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(T)

Names and Identifiers

• Pubchem Sid: 504769710
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769710
• Canonical Smiles: [B-](C1=CC=CC=C1C=O)(F)(F)F.[K+]
• IUPAC Name: potassium;trifluoro-(2-formylphenyl)boranuide
• InChIKey: LKOXEDSLHPSNSX-UHFFFAOYSA-N
• INCHI: 1S/C7H5BF3O.K/c9-8(10,11)7-4-2-1-3-6(7)5-12;/h1-5H;/q-1;+1
• Isomeric SMILES: [B-](C1=CC=CC=C1C=O)(F)(F)F.[K+]
• PubChem CID: 23707582
• Molecular Weight: 212.02
• Reaxy-Rn: 7783590

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Benzaldehydes 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: Benzaldehyde - Benzoyl - Aryl-aldehyde - Boronic acid derivative - Organic metal halide - Organic metalloid salt - Organic alkali metal salt - Organic salt - Hydrocarbon derivative - Organooxygen compound - Organic metalloid moeity - Organic oxide - Aldehyde - Organic potassium salt - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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): 222 °C
• Molecular Weight: 212.020 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 212.002 Da
• Monoisotopic Mass: 212.002 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 174.000
• 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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