4-Chloro-2-hydroxyphenylboronic acid(contains varying amounts of Anhydride) - ≥98% , CAS No.1238196-66-1

CAS: 1238196-66-1 Cat. No.: C586733 Peso molecular: 172.37

GRADE & PURITY ≥98%

Synonyms

XBNRJKSGOLRSRX-UHFFFAOYSA-N | (4-chloro-2-hydroxyphenyl) boronic acid | AKOS025293571 | (4-chloro-2-hydroxyphenyl)boronic acid | B-(4-Chloro-2-hydroxyphenyl)boronic acid | 4-Chloro-2-hydroxyphenylboronic acid | Boronic acid, B-(4-chloro-2-hydroxyphenyl)-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

XBNRJKSGOLRSRX-UHFFFAOYSA-N | (4-chloro-2-hydroxyphenyl) boronic acid | AKOS025293571 | (4-chloro-2-hydroxyphenyl)boronic acid | B-(4-Chloro-2-hydroxyphenyl)boronic acid | 4-Chloro-2-hydroxyphenylboronic acid | Boronic acid, B-(4-chloro-2-hydroxyphenyl)-

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

• Sonrisas canónicas: B(C1=C(C=C(C=C1)Cl)O)(O)O
• IUPAC Name: (4-chloro-2-hydroxyphenyl)boronic acid
• InChIKey: XBNRJKSGOLRSRX-UHFFFAOYSA-N
• INCHI: 1S/C6H6BClO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9-11H
• Isómeros SMILES: B(C1=C(C=C(C=C1)Cl)O)(O)O
• Peso molecular: 172.37
• Reaxy-Rn: 20746644
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20746644&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass Halophenols
        • Level5 Chlorophenols
          • Level6 M-chlorophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Chlorophenols
• Direct Parent: M-chlorophenols
• Alternative Parents: Chlorobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Boronic acids Vinyl chlorides Organic metalloid salts Chloroalkenes Organooxygen compounds Organochlorides Organoboron compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-chlorophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Chlorobenzene - Monocyclic benzene moiety - Boronic acid - Boronic acid derivative - Organic metalloid salt - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organochloride - Organoboron compound - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as m-chlorophenols. These are chlorophenols carrying a iodine at the C3 position of the 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

• Peso molecular: 172.370 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 172.01 Da
• Monoisotopic Mass: 172.01 Da
• Topological Polar Surface Area: 60.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 133.000
• 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