Potassium phenethyltrifluoroborate - ≥95% , CAS No.329976-74-1

CAS: 329976-74-1 Cat. No.: P169611 Peso molecular: 212.06 Número EC: 681-791-5 PubChem CID: 23697312

GRADE & PURITY ≥95%

Synonyms

SOZVPVAYKGJPJS-UHFFFAOYSA-N | FT-0704740 | J-018967 | Potassium trifluoro(2-phenylethyl)borate(1-) | Potassium phenethyltrifluoroborate | SY015466 | AS-62603 | P1581 | Potassium 2-phenylethyltrifluoroborate | MFCD09039257 | potassium;trifluoro(2-phenyleth

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

SOZVPVAYKGJPJS-UHFFFAOYSA-N | FT-0704740 | J-018967 | Potassium trifluoro(2-phenylethyl)borate(1-) | Potassium phenethyltrifluoroborate | SY015466 | AS-62603 | P1581 | Potassium 2-phenylethyltrifluoroborate | MFCD09039257 | potassium;trifluoro(2-phenyleth

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504769694
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769694
• Sonrisas canónicas: [B-](CCC1=CC=CC=C1)(F)(F)F.[K+]
• IUPAC Name: potassium;trifluoro(2-phenylethyl)boranuide
• InChIKey: SOZVPVAYKGJPJS-UHFFFAOYSA-N
• INCHI: 1S/C8H9BF3.K/c10-9(11,12)7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2;/q-1;+1
• Isómeros SMILES: [B-](CCC1=CC=CC=C1)(F)(F)F.[K+]
• WGK Alemania: 3
• PubChem CID: 23697312
• Peso molecular: 212.06

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Boronic acid derivatives Alkylhaloboranes Organic metalloid salts Organic metal halides Organic potassium salts Monoalkylboranes Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Alkylhaloborane - Boronic acid derivative - Organic metal halide - Organic alkali metal salt - Organic metalloid salt - Monoalkylborane - Alkylborane - Hydrocarbon derivative - Organic potassium salt - Organic salt - Organic metalloid moeity - Organic cation - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

• Sensibilidad: Hygroscopic
• Punto de fusión (°C): 173-175℃
• Peso molecular: 212.060 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 212.039 Da
• Monoisotopic Mass: 212.039 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 132.000
• 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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