(4-Octylphenyl)boronic acid (Contains varying amounts of anhydride) - ≥97% , CAS No.133997-05-4

CAS: 133997-05-4 Cat. No.: B709083 Peso molecular: 234.14 PubChem CID: 4197992

GRADE & PURITY ≥97%

Synonyms

(4-Octylphenyl)boronic acid | 4-(N-OCTYL)BENZENEBORONIC ACID | 4-N-OCTYLPHENYLBORONIC ACID | Boronic acid, B-(4-octylphenyl)- | 4-octylbenzeneboronic acid

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

(4-Octylphenyl)boronic acid | 4-(N-OCTYL)BENZENEBORONIC ACID | 4-N-OCTYLPHENYLBORONIC ACID | Boronic acid, B-(4-octylphenyl)- | 4-octylbenzeneboronic acid

Especificaciones y pureza

≥97%

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

≥97%

Nombres e identificadores

• Sonrisas canónicas: B(C1=CC=C(C=C1)CCCCCCCC)(O)O
• IUPAC Name: (4-octylphenyl)boronic acid
• InChIKey: HUKDAABRKOWPNA-UHFFFAOYSA-N
• INCHI: 1S/C14H23BO2/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)15(16)17/h9-12,16-17H,2-8H2,1H3
• Isómeros SMILES: B(C1=CC=C(C=C1)CCCCCCCC)(O)O
• PubChem CID: 4197992
• Peso molecular: 234.14

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 acids Organic metalloid salts Organometalloid compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic metalloid moeity - 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: moisture sensitive
• Peso molecular: 234.140 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 234.179 Da
• Monoisotopic Mass: 234.179 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 177.000
• 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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