2-ブロモ-5′-フルオロ-2′-ヒドロキシアセトフェノン - ≥97% , CAS No.126581-65-5

CAS: 126581-65-5 Cat. No.: B166810 分子式: C₈H₆BrFO₂ 分子量: 233.03 EC番号: 623-935-1

グレード＆純度 ≥97%

Synonyms

2-Bromo-1-(5-fluoro-2-hydroxyphenyl)ethanone | 2-bromo-1-(5-fluoro-2-hydroxy-phenyl)ethanone | J-005401 | SCHEMBL3230200 | 2-Bromo-5'-fluoro-2'-hydroxyacetophenone | AKOS015912042 | A805572 | PS-9979 | FT-0643053 | 2-Bromo-5'-fluoro-2'-hydroxyacetophenone

Storage

Argon charged,Room temperature

Shipped In

ノーマル

仕様

同義語

2-Bromo-1-(5-fluoro-2-hydroxyphenyl)ethanone | 2-bromo-1-(5-fluoro-2-hydroxy-phenyl)ethanone | J-005401 | SCHEMBL3230200 | 2-Bromo-5'-fluoro-2'-hydroxyacetophenone | AKOS015912042 | A805572 | PS-9979 | FT-0643053 | 2-Bromo-5'-fluoro-2'-hydroxyacetophenone

仕様と純度

≥97%

保管条件

Argon charged,Room temperature

入荷

ノーマル

純度

≥97%

名前と識別子

パブケム・シド

488193801

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488193801

カノニカル・スマイル

C1=CC(=C(C=C1F)C(=O)CBr)O

IUPAC Name

2-bromo-1-(5-fluoro-2-hydroxyphenyl)ethanone

InChIKey

QFYYHGPQMZTLRB-UHFFFAOYSA-N

INCHI

1S/C8H6BrFO2/c9-4-8(12)6-3-5(10)1-2-7(6)11/h1-3,11H,4H2

異性体SMILES

C1=CC(=C(C=C1F)C(=O)CBr)O

WGKドイツ

3

分子量

233.03

Reaxy-Rn

4178070

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4178070&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: P-fluorophenols Benzoyl derivatives Aryl alkyl ketones Fluorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Vinylogous acids Alpha-haloketones Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Benzoyl - 4-halophenol - Aryl alkyl ketone - 4-fluorophenol - 1-hydroxy-2-unsubstituted benzenoid - Fluorobenzene - Halobenzene - Phenol - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Alpha-haloketone - Hydrocarbon derivative - Organic oxide - Alkyl halide - Organohalogen compound - Organobromide - Organofluoride - Alkyl bromide - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl 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

化学的性質と物理的性質

• 感度: Moisture sensitive.
• 分子量: 233.030 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 231.954 Da
• Monoisotopic Mass: 231.954 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 174.000
• 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

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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 126581-65-5, the molecular formula is C8H6BrFO2, and the molecular weight is 233.03 g/mol. InChIKey QFYYHGPQMZTLRB-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.