(2E)-3-(2,4-dichlorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one - ≥98% , CAS No.851581-61-8

CAS: 851581-61-8 Cat. No.: E929324 Summenformel: C₁₅H₉Cl₂FO Molekulargewicht: 295.100

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

C1=CC(=CC=C1C(=O)/C=C/C2=C(C=C(C=C2)Cl)Cl)F

IUPAC Name

(E)-3-(2,4-dichlorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one

InChIKey

JXJPSCKSDZPJKP-XBXARRHUSA-N

INCHI

1S/C15H9Cl2FO/c16-12-5-1-10(14(17)9-12)4-8-15(19)11-2-6-13(18)7-3-11/h1-9H/b8-4+

Molekulargewicht

295.100

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Linear 1,3-diarylpropanoids
      • Subclass Chalcones and dihydrochalcones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Linear 1,3-diarylpropanoids
• Subclass: Chalcones and dihydrochalcones
• Intermediate Tree Nodes: Not available
• Direct Parent: Retrochalcones
• Alternative Parents: Cinnamic acids and derivatives Styrenes Dichlorobenzenes Benzoyl derivatives Aryl ketones Fluorobenzenes Aryl fluorides Aryl chlorides Enones Acryloyl compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Retrochalcone - Cinnamic acid or derivatives - Benzoyl - 1,3-dichlorobenzene - Styrene - Aryl ketone - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Alpha,beta-unsaturated ketone - Acryloyl-group - Enone - Ketone - Organic oxygen compound - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organofluoride - Organooxygen compound - Organic oxide - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
• 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

• Molekulargewicht: 295.100 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 294.001 Da
• Monoisotopic Mass: 294.001 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 337.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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

The CAS Number is 851581-61-8, the molecular formula is C15H9Cl2FO, and the molecular weight is 295.100 g/mol. InChIKey JXJPSCKSDZPJKP-XBXARRHUSA-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.