Pentafluorophenylboronic acid (contains varying amounts of Anhydride) - ≥97% , CAS No.1582-24-7

CAS: 1582-24-7 Cat. No.: P113645 Peso molecular: 211.88 Número EC: 627-867-3

GRADE & PURITY ≥97%

Synonyms

2,3,4,5,6-PENTAFLUOROPHENYLBORONIC ACID | Pentafluorophenylboronicacid | GS-6218 | FT-0609325 | SCHEMBL125669 | Pentafluorobenzeneboronic acid | (2,3,4,5,6-pentafluorophenyl)boronic Acid | BORONIC ACID, (PENTAFLUOROPHENYL)- | Pentafluorophenylboronic acid

Storage

Room temperature,Argon charged

Shipped In

Normal

Descripción general

Application：

2,3,4,5,6-Pentafluorobenzeneboronic acid is utilized in the palladium-catalyzed Suzuki reaction to synthesize several cross-coupled aromatic compounds, for example bis(pentafluorophenyl)-substituted thiophene and selenophene derivatives. It serves as an intermediate and raw material in pharmaceutical and chemical industry. It is also used in dyes and pigments. It can be used to prepare cyclic boronates of bifunctional compounds.

Specifications

Sinónimos

2, 3, 4, 5, 6-PENTAFLUOROPHENYLBORONIC ACID | Pentafluorophenylboronicacid | GS-6218 | FT-0609325 | SCHEMBL125669 | Pentafluorobenzeneboronic acid | (2, 3, 4, 5, 6-pentafluorophenyl)boronic Acid | BORONIC ACID, (PENTAFLUOROPHENYL)- | Pentafluorophenylboronic acid

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488193660
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193660
• Sonrisas canónicas: B(C1=C(C(=C(C(=C1F)F)F)F)F)(O)O
• IUPAC Name: (2,3,4,5,6-pentafluorophenyl)boronic acid
• InChIKey: VASOMTXTRMYSKD-UHFFFAOYSA-N
• INCHI: 1S/C6H2BF5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h13-14H
• Isómeros SMILES: B(C1=C(C(=C(C(=C1F)F)F)F)F)(O)O
• WGK Alemania: 3
• Peso molecular: 211.88
• Reaxy-Rn: 3033960
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3033960&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Aryl fluorides Boronic acids Organic metalloid salts Organofluorides Organoboron compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fluorobenzene - Aryl halide - Aryl fluoride - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organofluoride - Organoboron compound - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
• 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

• Solubilidad: Miscible with alcohols, acetonitrile and dichloromethane.
• Sensibilidad: Moisture sensitive
• Punto de fusión (°C): 290°C(lit.)
• Peso molecular: 211.880 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 212.007 Da
• Monoisotopic Mass: 212.007 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 191.000
• 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: 1

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