4'-Acetylbiphenyl-4-boronic acid (contains varying amounts of Anhydride) - ≥98% , CAS No.1029438-14-9

CAS: 1029438-14-9 Cat. No.: A178871 Peso molecular: 240.06

GRADE & PURITY ≥98%

Synonyms

MFCD16295057 | BS-25255 | (4'-Acetyl-[1,1'-biphenyl]-4-yl)boronic acid | (4'-Acetyl[1,1'-biphenyl]-4-yl)boronic acid | DTXSID10681602 | SCHEMBL257776 | (4'-Acetyl-[1,1'-biphenyl]-4-yl)boronicacid | A896673 | AKOS015837766 | {4'-acetyl-[1,1'-biphenyl]-4-yl

Storage

Store at 2-8°C,Argon charged,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

MFCD16295057 | BS-25255 | (4'-Acetyl-[1, 1'-biphenyl]-4-yl)boronic acid | (4'-Acetyl[1, 1'-biphenyl]-4-yl)boronic acid | DTXSID10681602 | SCHEMBL257776 | (4'-Acetyl-[1, 1'-biphenyl]-4-yl)boronicacid | A896673 | AKOS015837766 | {4'-acetyl-[1, 1'-biphenyl]-4-yl

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged, Desiccated

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

• Sonrisas canónicas: B(C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C)(O)O
• IUPAC Name: [4-(4-acetylphenyl)phenyl]boronic acid
• InChIKey: KLFRIBXIZZFOBU-UHFFFAOYSA-N
• INCHI: 1S/C14H13BO3/c1-10(16)11-2-4-12(5-3-11)13-6-8-14(9-7-13)15(17)18/h2-9,17-18H,1H3
• Isómeros SMILES: B(C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C)(O)O
• Peso molecular: 240.06
• Reaxy-Rn: 18349639
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18349639&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Biphenyls and derivatives Acetophenones Benzoyl derivatives Aryl alkyl ketones Boronic acids Organic metalloid salts Organometalloid compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Biphenyl - Acetophenone - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxide - Hydrocarbon derivative - Organic metalloid moeity - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl 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: 240.060 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 240.096 Da
• Monoisotopic Mass: 240.096 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 277.000
• 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

XLogP3