Potassium 4-carboxyphenyltrifluoroborate - ≥95% , CAS No.850623-38-0

CAS: 850623-38-0 Cat. No.: P136048 Peso molecular: 228.02 Número EC: 677-041-1 PubChem CID: 23697341

GRADE & PURITY ≥95%

Synonyms

Potassium (4-carboxyphenyl)trifluoroborate | POTASSIUM (4-CARBOXYPHENYL)TRIFLUOROBORANUIDE | Potassium (4-carboxyphenyl)(trifluoro)borate(1-) | potassium (4-carboxyphenyl)-trifluoro-boranuide;Potassium 4-carboxyphenyltrifluoroborate | EN300-7390249 | DTXS

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Potassium (4-carboxyphenyl)trifluoroborate | POTASSIUM (4-CARBOXYPHENYL)TRIFLUOROBORANUIDE | Potassium (4-carboxyphenyl)(trifluoro)borate(1-) | potassium (4-carboxyphenyl)-trifluoro-boranuide;Potassium 4-carboxyphenyltrifluoroborate | EN300-7390249 | DTXS

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488200578
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200578
• Sonrisas canónicas: [B-](C1=CC=C(C=C1)C(=O)O)(F)(F)F.[K+]
• IUPAC Name: potassium;(4-carboxyphenyl)-trifluoroboranuide
• InChIKey: NMZCPMQLYMSRAD-UHFFFAOYSA-N
• INCHI: 1S/C7H5BF3O2.K/c9-8(10,11)6-3-1-5(2-4-6)7(12)13;/h1-4H,(H,12,13);/q-1;+1
• Isómeros SMILES: [B-](C1=CC=C(C=C1)C(=O)O)(F)(F)F.[K+]
• WGK Alemania: 3
• PubChem CID: 23697341
• Peso molecular: 228.02

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids
• Alternative Parents: Benzoyl derivatives Boronic acid derivatives Organic metalloid salts Organic metal halides Carboxylic acids Organooxygen compounds Organometalloid compounds Organic potassium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoic acid - Benzoyl - Boronic acid derivative - Organic metal halide - Carboxylic acid derivative - Carboxylic acid - Organic metalloid salt - Organic alkali metal salt - Organooxygen compound - Organic metalloid moeity - Organic salt - Organic potassium salt - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl 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

Propiedades químicas y físicas

• Peso molecular: 228.020 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 227.997 Da
• Monoisotopic Mass: 227.997 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 202.000
• 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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