4-(Bromomethyl)phenylboronic acid(contains varying amounts of Anhydride) - ≥97% , CAS No.68162-47-0

CAS: 68162-47-0 Cat. No.: B165281 Peso molecular: 214.85 Beilstein Registry Number: 3030979 Número EC: 627-358-6

GRADE & PURITY ≥97%

Synonyms

4-bromomethylphenyl boronic acid | FT-0616717 | 4-bromomethylphenylboronic acid | 4-(bromomethyl)benzeneboronic acid | PDNOURKEZJZJNZ-UHFFFAOYSA-N | AKOS015836208 | (4-bromomethylphenyl)boronic acid | EN300-150254 | SCHEMBL40256 | (4-(Bromomethyl)phenyl)b

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

1.Design of boronic acid-based autotaxin inhibitors. 2.Synthesis of boronated phosphonium salts. 3.Studies of incorporation of boronic acid groups to enhance gene transfection capability. 4.Investigations of the effect of boronic acid-positioning in optical glucose-sensing ensemble.

Specifications

Sinónimos

4-bromomethylphenyl boronic acid | FT-0616717 | 4-bromomethylphenylboronic acid | 4-(bromomethyl)benzeneboronic acid | PDNOURKEZJZJNZ-UHFFFAOYSA-N | AKOS015836208 | (4-bromomethylphenyl)boronic acid | EN300-150254 | SCHEMBL40256 | (4-(Bromomethyl)phenyl)b

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

• Pubchem Sid: 488192739
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192739
• Sonrisas canónicas: B(C1=CC=C(C=C1)CBr)(O)O
• IUPAC Name: [4-(bromomethyl)phenyl]boronic acid
• InChIKey: PDNOURKEZJZJNZ-UHFFFAOYSA-N
• INCHI: 1S/C7H8BBrO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,10-11H,5H2
• Isómeros SMILES: B(C1=CC=C(C=C1)CBr)(O)O
• WGK Alemania: 3
• Peso molecular: 214.85
• Beilstein: 3030979
• Reaxy-Rn: 3030979
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3030979&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzyl halides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl bromides
• Alternative Parents: Boronic acids Organic metalloid salts Organobromides Organoboron compounds Organic oxygen compounds Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl bromide - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organobromide - Organoboron compound - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzyl bromides. These are organic compounds containing a benzene skeleton substituted with a bromomethyl 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

• Sensibilidad: Moisture sensitive；Heat sensitive
• Punto de fusión (°C): 145-150°C
• Peso molecular: 214.850 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 213.98 Da
• Monoisotopic Mass: 213.98 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 113.000
• 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

Referencias

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