Potassium (3-cyanomethylphenyl)trifluoroborate - ≥98% , CAS No.1073468-32-2

CAS: 1073468-32-2 Cat. No.: P179280 Peso molecular: 223 PubChem CID: 53397200

GRADE & PURITY ≥98%

Synonyms

A895450 | Potassium (3-(cyanomethyl)phenyl)trifluoroborate | Potassium [3-(cyanomethyl)phenyl](trifluoro)borate(1-) | MFCD09993212 | Potassium (3-cyanomethylphenyl)trifluoroborate | Potassium(3-cyanomethylphenyl)trifluoroborate | 1073468-32-2 | potassium;

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

A895450 | Potassium (3-(cyanomethyl)phenyl)trifluoroborate | Potassium [3-(cyanomethyl)phenyl](trifluoro)borate(1-) | MFCD09993212 | Potassium (3-cyanomethylphenyl)trifluoroborate | Potassium(3-cyanomethylphenyl)trifluoroborate | 1073468-32-2 | potassium;

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: [B-](C1=CC(=CC=C1)CC#N)(F)(F)F.[K+]
• IUPAC Name: potassium;[3-(cyanomethyl)phenyl]-trifluoroboranuide
• InChIKey: ZKCMUCHAKQYUMT-UHFFFAOYSA-N
• INCHI: 1S/C8H6BF3N.K/c10-9(11,12)8-3-1-2-7(6-8)4-5-13;/h1-3,6H,4H2;/q-1;+1
• Isómeros SMILES: [B-](C1=CC(=CC=C1)CC#N)(F)(F)F.[K+]
• PubChem CID: 53397200
• Peso molecular: 223

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzyl cyanides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzyl cyanides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl cyanides
• Alternative Parents: Boronic acid derivatives Organic metalloid salts Organic metal halides Nitriles Organopnictogen compounds Organometalloid compounds Organic potassium salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl-cyanide - Boronic acid derivative - Carbonitrile - Organic metal halide - Nitrile - Organic alkali metal salt - Organic metalloid salt - Organic nitrogen compound - Organopnictogen compound - Organic potassium salt - Organic salt - Organonitrogen compound - Organic metalloid moeity - Hydrocarbon derivative - Cyanide - Organic cation - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzyl cyanides. These are organic compounds containing an acetonitrile with one hydrogen replaced by 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

Propiedades químicas y físicas

• Peso molecular: 223.050 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 223.018 Da
• Monoisotopic Mass: 223.018 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 222.000
• 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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