2,3-Dichlorophenylboronic acid - ≥97% , CAS No.151169-74-3

CAS: 151169-74-3 Cat. No.: D102938 分子式: Cl₂C₆H₃B(OH)₂ 分子量: 190.82 EC番号: 677-196-5

GRADE & PURITY ≥97%

Synonyms

(2,3-dichlorophenyl)boronic Acid | BBL102080 | TYIKXPOMOYDGCS-UHFFFAOYSA-N | FT-0643469 | 3,4-Dichlorophenylboric acid;2,3-Dichlorophenylboronic acid | Boronic acid, B-(2,3-dichlorophenyl)- | AB08167 | DTXSID40370431 | SCHEMBL4991 | A3323 | BCP34354 | 2,3

Storage

Room temperature

Shipped In

Normal

概要

Product Application:

Reactant for:

Suzuki-Miyaura coupling reactions

Preparation of biologically and pharmacologically active molecules

Specifications

同義語

(2,3-dichlorophenyl)boronic Acid | BBL102080 | TYIKXPOMOYDGCS-UHFFFAOYSA-N | FT-0643469 | 3,4-Dichlorophenylboric acid;2,3-Dichlorophenylboronic acid | Boronic acid, B-(2,3-dichlorophenyl)- | AB08167 | DTXSID40370431 | SCHEMBL4991 | A3323 | BCP34354 | 2,3

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

• パブケム・シド: 488192639
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488192639
• カノニカル・スマイル: B(C1=C(C(=CC=C1)Cl)Cl)(O)O
• IUPAC Name: (2,3-dichlorophenyl)boronic acid
• InChIKey: TYIKXPOMOYDGCS-UHFFFAOYSA-N
• INCHI: 1S/C6H5BCl2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,10-11H
• 異性体SMILES: B(C1=C(C(=CC=C1)Cl)Cl)(O)O
• WGKドイツ: 3
• 分子量: 190.82
• Reaxy-Rn: 9552248
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9552248&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Aryl chlorides Boronic acids Organic metalloid salts Organochlorides Organoboron compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,2-dichlorobenzene - 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
• 説明: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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

化学的性質と物理的性質

• 溶解度: Soluble in Methanol
• 融点（°C）: 125°C
• 分子量: 190.820 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 189.976 Da
• Monoisotopic Mass: 189.976 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 134.000
• 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

よくある質問

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 151169-74-3, the molecular formula is C6H5BCl2O2, and the molecular weight is 190.82 g/mol. InChIKey TYIKXPOMOYDGCS-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.