potassium trifluoro(2-nitrophenyl)borate(1-) - ≥98% , CAS No.850623-64-2

CAS: 850623-64-2 Cat. No.: P770615 Peso molecular: 229.01 Número EC: 687-428-7 PubChem CID: 2782854

GRADE & PURITY ≥98%

Storage

Room temperature

Shipped In

Normal

Specifications

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[N+](=O)[O-])(F)(F)F.[K+]
• IUPAC Name: potassium;trifluoro-(2-nitrophenyl)boranuide
• InChIKey: DZHYOFKWMHZKBK-UHFFFAOYSA-N
• INCHI: 1S/C6H4BF3NO2.K/c8-7(9,10)5-3-1-2-4-6(5)11(12)13;/h1-4H;/q-1;+1
• Isómeros SMILES: [B-](C1=CC=CC=C1[N+](=O)[O-])(F)(F)F.[K+]
• WGK Alemania: 3
• PubChem CID: 2782854
• Peso molecular: 229.01

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitroaromatic compounds Boronic acid derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic metalloid salts Organic metal halides Organopnictogen compounds Organonitrogen compounds Organoboron compounds Organic potassium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Boronic acid derivative - C-nitro compound - Organic nitro compound - Organic metal halide - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic alkali metal salt - Organic metalloid salt - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organic salt - Organic potassium salt - Hydrocarbon derivative - Organonitrogen compound - Organoboron compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro 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: 229.010 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 228.992 Da
• Monoisotopic Mass: 228.992 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 203.000
• 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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