4-Chlorophenylboronic acid - ≥97% , CAS No.1679-18-1

CAS: 1679-18-1 Cat. No.: C103544 Fórmula: C₆H₆BClO₂ Peso molecular: 156.37 Beilstein Registry Number: 2936346 Número CE: 216-845-5

GRADE & PURITY ≥97%

Synonyms

4-Chlorophenylboronic acid | Benzeneboronic acid, p-chloro- | 4-chlorophenyl boronic acid | (4-chlorophenyl)boronic acid | Boronic acid, (4-chlorophenyl)- | p-Chlorophenylboronic acid | 4-Chlorobenzeneboronic acid | 1679-18-1 | p-Chlorobenzeneboronic acid

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

4-Chlorophenylboronic acid | Benzeneboronic acid, p-chloro- | 4-chlorophenyl boronic acid | (4-chlorophenyl)boronic acid | Boronic acid, (4-chlorophenyl)- | p-Chlorophenylboronic acid | 4-Chlorobenzeneboronic acid | 1679-18-1 | p-Chlorobenzeneboronic acid

Especificações e pureza

≥97%

Aplicação

4-Chlorophenylboronic acid can be used as a reactant in: Palladium-catalyzed direct arylation. Cyclopalladation Tandem-type Pd(II)-catalyzed oxidative Heck reaction and intramolecular C-H amidation. Copper-mediated ligandless aerobic fluoroalkylation. Pd-

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

488184906

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184906

Sorrisos canónicos

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

IUPAC Name

(4-chlorophenyl)boronic acid

InChIKey

CAYQIZIAYYNFCS-UHFFFAOYSA-N

INCHI

1S/C6H6BClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H

SMILES isoméricas

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

WGK Alemanha

3

RTECS

CY8950000

Peso molecular

156.37

Beilstein

2936346

Reaxy-Rn

2936346

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2936346&ln=

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: Aryl chlorides Boronic acids Organic metalloid salts Organochlorides Organoboron compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Chlorobenzene - Aryl halide - Aryl chloride - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organochloride - Organoboron compound - Organohalogen compound - Aromatic homomonocyclic compound
• Descrição: 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

Alvos associados (humanos)

KB (17409 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ENPP2 Tchem Autotaxin (2645 Activities)

Discover Target: ENPP2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Alvos associados (não humanos)

Staphylococcus aureus (210822 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Water soluble 2.5 g/100 mL
• Ponto de fusão (°C): 268-277℃
• Peso molecular: 156.380 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 156.015 Da
• Monoisotopic Mass: 156.015 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 102.000
• 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

Perguntas frequentes

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.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 1679-18-1, the molecular formula is C6H6BClO2, and the molecular weight is 156.37 g/mol. InChIKey CAYQIZIAYYNFCS-UHFFFAOYSA-N.

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.