4-Cyano-3-fluorobenzeneboronic acid - ≥97% , CAS No.843663-18-3

CAS: 843663-18-3 Cat. No.: C103148 Peso molecular: 164.94 Número EC: 675-386-2

GRADE & PURITY ≥97%

Synonyms

4-Cyano-3-fluorophenylboronic acid | 4-cyano-3-fluoro-phenylboronic acid | 4-cyano-3-fluoro-phenyl-boronic acid | SY022110 | 4-Cyano-3-FluorophenylboronicAcid | C2456 | (4-cyano-3-fluorophenyl)boronic acid | MFCD03411549 | 3-fluoro-4-cyanophenyl boronic a

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

4-Cyano-3-fluorophenylboronic acid | 4-cyano-3-fluoro-phenylboronic acid | 4-cyano-3-fluoro-phenyl-boronic acid | SY022110 | 4-Cyano-3-FluorophenylboronicAcid | C2456 | (4-cyano-3-fluorophenyl)boronic acid | MFCD03411549 | 3-fluoro-4-cyanophenyl boronic a

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488193912
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193912
• Sonrisas canónicas: B(C1=CC(=C(C=C1)C#N)F)(O)O
• IUPAC Name: (4-cyano-3-fluorophenyl)boronic acid
• InChIKey: DECWLXUOZUMPBF-UHFFFAOYSA-N
• INCHI: 1S/C7H5BFNO2/c9-7-3-6(8(11)12)2-1-5(7)4-10/h1-3,11-12H
• Isómeros SMILES: B(C1=CC(=C(C=C1)C#N)F)(O)O
• Peso molecular: 164.94
• Reaxy-Rn: 10251084
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10251084&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzonitriles
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzonitriles
• Alternative Parents: Fluorobenzenes Aryl fluorides Boronic acids Organic metalloid salts Nitriles Organopnictogen compounds Organofluorides Organoboron compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzonitrile - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Boronic acid derivative - Boronic acid - Organic metalloid salt - Carbonitrile - Nitrile - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organopnictogen compound - Organohalogen compound - Organoboron compound - Organofluoride - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
• 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: Soluble in Methanol
• Punto de fusión (°C): >300°
• Peso molecular: 164.930 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 165.04 Da
• Monoisotopic Mass: 165.04 Da
• Topological Polar Surface Area: 64.300 Ų
• Heavy Atom Count: 12
• 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: 1

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