4-Aminocarbonylphenylboronic acid(contains varying amounts of Anhydride) - ≥98% , CAS No.123088-59-5

CAS: 123088-59-5 Cat. No.: A101991 Peso molecular: 164.95 Número EC: 627-202-7

GRADE & PURITY ≥98%

Synonyms

benzamide-4-boronic acid | AC-30996 | SY024633 | EN300-316838 | SCHEMBL104764 | AKOS005254356 | C2570 | 4-Aminocarbonylphenylboronic acid | 4-aminocarbonylphenyl boronic acid | BBL103462 | 4-aminocarbonyl-phenyl boronic acid | NCGC00249504-01 | [4-(aminoc

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

benzamide-4-boronic acid | AC-30996 | SY024633 | EN300-316838 | SCHEMBL104764 | AKOS005254356 | C2570 | 4-Aminocarbonylphenylboronic acid | 4-aminocarbonylphenyl boronic acid | BBL103462 | 4-aminocarbonyl-phenyl boronic acid | NCGC00249504-01 | [4-(aminoc

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504761398
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761398
• Sonrisas canónicas: B(C1=CC=C(C=C1)C(=O)N)(O)O
• IUPAC Name: (4-carbamoylphenyl)boronic acid
• InChIKey: GNRHNKBJNUVWFZ-UHFFFAOYSA-N
• INCHI: 1S/C7H8BNO3/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,11-12H,(H2,9,10)
• Isómeros SMILES: B(C1=CC=C(C=C1)C(=O)N)(O)O
• WGK Alemania: 3
• Peso molecular: 164.95
• Reaxy-Rn: 9390386
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9390386&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzamides
• Alternative Parents: Benzoyl derivatives Primary carboxylic acid amides Boronic acids Organic metalloid salts Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organoboron compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzamide - Benzoyl - Boronic acid derivative - Boronic acid - Carboxamide group - Primary carboxylic acid amide - Organic metalloid salt - Carboxylic acid derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organoboron compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Sensibilidad: Air Sensitive；Heat Sensitive；Moisture sensitive
• Punto de fusión (°C): 229-234°C
• Peso molecular: 164.960 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 165.06 Da
• Monoisotopic Mass: 165.06 Da
• Topological Polar Surface Area: 83.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 166.000
• 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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