4-Bromo-3,5-dichlorophenyl boronic acid - ≥97% , CAS No.2121511-62-2

CAS: 2121511-62-2 Cat. No.: B958085 Formula: C₆H₄BBrCl₂O₂ Peso molecolare: 269.710

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥97%

Nomi e identificatori

Sorrisi canonici

B(C1=CC(=C(C(=C1)Cl)Br)Cl)(O)O

IUPAC Name

(4-bromo-3,5-dichlorophenyl)boronic acid

InChIKey

FIIAWVYUPICPON-UHFFFAOYSA-N

INCHI

1S/C6H4BBrCl2O2/c8-6-4(9)1-3(7(11)12)2-5(6)10/h1-2,11-12H

Peso molecolare

269.710

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Bromobenzenes Boronic acids Vinyl chlorides Vinyl bromides Organic metalloid salts Chloroalkenes Bromoalkenes Organochlorides Organobromides Organoboron compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Chlorobenzene - Bromobenzene - Boronic acid - Boronic acid derivative - Organic metalloid salt - Chloroalkene - Bromoalkene - Haloalkene - Vinyl halide - Vinyl chloride - Vinyl bromide - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organochloride - Organobromide - Organoboron compound - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 269.710 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 267.886 Da
• Monoisotopic Mass: 267.886 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 148.000
• 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

Domande frequenti

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2121511-62-2, the molecular formula is C6H4BBrCl2O2, and the molecular weight is 269.710 g/mol. InChIKey FIIAWVYUPICPON-UHFFFAOYSA-N.