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

CAS: 1679-18-1 Cat. No.: C103544 Summenformel: C₆H₆BClO₂ Molekulargewicht: 156.37 Beilstein Registry Number: 2936346 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 488184906
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184906
• Kanonisches Lächeln: 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
• Isomere SMILES: B(C1=CC=C(C=C1)Cl)(O)O
• WGK Deutschland: 3
• RTECS: CY8950000
• Molekulargewicht: 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
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

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KB (17409 Activities)

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ENPP2 Tchem Autotaxin (2645 Activities)

Discover Target: ENPP2

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Staphylococcus aureus (210822 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Water soluble 2.5 g/100 mL
• Schmelzpunkt (°C): 268-277℃
• Molekulargewicht: 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

Referenzen

1. Qi Wei, Luo Kexin, Su Qing, Sun Xiaoman, Li Xiaodong, Liu Ziqian, Wu Qiaolin.  (2022)  The Photoactive Hydrazone-Linked Covalent Organic Frameworks for Photocyclization Approach to Phenanthridine Derivatives.  CATALYSIS LETTERS,  153  (8): (2331-2340).  [PMID:] [10.1007/s10562-022-04162-5]

2. Jiayin Gao, Yaoyao Wang, Yuqing Yu, Mengxiang Zhu, Wen Kong, Genyan Liu, Xiaogang Luo.  (2024)  Carbonized cellulose microspheres loaded with Pd NPs as catalyst in p-nitrophenol reduction and Suzuki-Miyaura coupling reaction.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:38688337] [10.1016/j.ijbiomac.2024.131904]

Häufig gestellte Fragen

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.