3'-Bromo-5'-chloro-2'-hydroxyacetophenone - ≥97%(GC) , CAS No.59443-15-1

CAS: 59443-15-1 Cat. No.: B136413 Summenformel: C₈H₆BrClO₂ Molekulargewicht: 249.49 EG-Nummer: 626-689-3

QUALITÄT & REINHEIT ≥97%(GC)

Synonyms

SCHEMBL221422 | A832321 | AC-23688 | 1-(3-Bromo-5-chloro-2-hydroxyphenyl)ethan-1-one | 1-(3-bromo-5-chloro-2-hydroxyphenyl)ethanone | 3'-Bromo-5'-chloro-2'-hydroxy acetophenone | B2236 | DTXSID50370785 | FFAVKFQPEOGJOA-UHFFFAOYSA-N | 3'-Bromo-5'-chloro-2

Storage

Room temperature

Shipped In

Normal

Übersicht

Product Description：

3′-Bromo-5′-chloro-2′-hydroxyacetophenone is a halogenated aromatic hydroxyl ketone. It participates in the synthesis of racemates of 8-bromo-6-chloro-2-alkyl substituted chroman-4-ones.

Product Application：

3′-Bromo-5′-chloro-2′-hydroxyacetophenone (3-bromo-5-chloro-2-hydroxyacetophenone) may be used in the synthesis of corresponding chalcones and structurally related dienones by reacting with appropriate aldehydes.
It may also be used in the preparation of the bioactive 8-bromo-6-chloro-2-substituted 4-chromanone.

Spezifikationen

Synonyme

SCHEMBL221422 | A832321 | AC-23688 | 1-(3-Bromo-5-chloro-2-hydroxyphenyl)ethan-1-one | 1-(3-bromo-5-chloro-2-hydroxyphenyl)ethanone | 3'-Bromo-5'-chloro-2'-hydroxy acetophenone | B2236 | DTXSID50370785 | FFAVKFQPEOGJOA-UHFFFAOYSA-N | 3'-Bromo-5'-chloro-2

Spezifikationen & Reinheit

≥97%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%(GC)

Namen und Kennungen

Pubchem Sid

488192726

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192726

Kanonisches Lächeln

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

IUPAC Name

1-(3-bromo-5-chloro-2-hydroxyphenyl)ethanone

InChIKey

FFAVKFQPEOGJOA-UHFFFAOYSA-N

INCHI

1S/C8H6BrClO2/c1-4(11)6-2-5(10)3-7(9)8(6)12/h2-3,12H,1H3

Isomere SMILES

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

WGK Deutschland

3

Molekulargewicht

249.49

Reaxy-Rn

2047319

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2047319&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Aryl ketones
            • Ebene7 Phenylketones
              • Ebene8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Acetophenones P-chlorophenols O-bromophenols Benzoyl derivatives Aryl alkyl ketones Chlorobenzenes Bromobenzenes Aryl chlorides Aryl bromides Vinylogous acids Organochlorides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Benzoyl - 4-halophenol - 2-halophenol - 2-bromophenol - 4-chlorophenol - Aryl alkyl ketone - Halobenzene - Chlorobenzene - Bromobenzene - Phenol - Aryl chloride - Aryl bromide - Aryl halide - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Organochloride - Organobromide - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 100 °C
• Molekulargewicht: 249.490 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 247.924 Da
• Monoisotopic Mass: 247.924 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 186.000
• 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

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by gas chromatography (GC). 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 59443-15-1, the molecular formula is C8H6BrClO2, and the molecular weight is 249.49 g/mol. InChIKey FFAVKFQPEOGJOA-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.