4,4'-Dichlorochalcone - ≥98% , CAS No.19672-59-4

CAS: 19672-59-4 Cat. No.: D154756 Fórmula: C₁₅H₁₀Cl₂O Peso molecular: 277.14 Número EC: 633-730-9

GRADE & PURITY ≥98%

Synonyms

NSC122588 | NSC-122588 | MFCD00018704 | 2-Propen-1-one, 1,3-bis(4-chlorophenyl)- | 1,3-bis(4-chlorophenyl)-2-propen-1-one | AKOS000282619 | trans-1,3-di-(4-chlorophenyl)-prop-2-en-1-one | 1,3-bis(4-chlorophenyl)prop-2-en-1-one | 4'-Chloro-2-(4-chlorobenzy

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

NSC122588 | NSC-122588 | MFCD00018704 | 2-Propen-1-one, 1,3-bis(4-chlorophenyl)- | 1,3-bis(4-chlorophenyl)-2-propen-1-one | AKOS000282619 | trans-1,3-di-(4-chlorophenyl)-prop-2-en-1-one | 1,3-bis(4-chlorophenyl)prop-2-en-1-one | 4'-Chloro-2-(4-chlorobenzy

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488195519
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195519
• Sonrisas canónicas: C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)Cl)Cl
• IUPAC Name: (E)-1,3-bis(4-chlorophenyl)prop-2-en-1-one
• InChIKey: YMEMCRBNZSLQCQ-XCVCLJGOSA-N
• INCHI: 1S/C15H10Cl2O/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10H/b10-3+
• Isómeros SMILES: C1=CC(=CC=C1/C=C/C(=O)C2=CC=C(C=C2)Cl)Cl
• Peso molecular: 277.14
• Reaxy-Rn: 2331589
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2331589&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Linear 1,3-diarylpropanoids
• Subclass: Chalcones and dihydrochalcones
• Intermediate Tree Nodes: Not available
• Direct Parent: Retrochalcones
• Alternative Parents: Styrenes Benzoyl derivatives Aryl ketones Chlorobenzenes Aryl chlorides Enones Acryloyl compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Retrochalcone - Benzoyl - Styrene - Aryl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Enone - Acryloyl-group - Alpha,beta-unsaturated ketone - Ketone - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: 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

Objetivos asociados (humanos)

HepG2 (196354 Activities)

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Objetivos asociados (no humanos)

Staphylococcus aureus (210822 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Entamoeba histolytica (2676 Activities)

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Plasmodium falciparum (966862 Activities)

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Candida albicans (78123 Activities)

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Plutella xylostella (1838 Activities)

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Kluyveromyces lactis (70 Activities)

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Ogataea angusta (372 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 156-160°C
• Peso molecular: 277.100 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 276.011 Da
• Monoisotopic Mass: 276.011 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 298.000
• 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

Preguntas frecuentes

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.

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 19672-59-4, the molecular formula is C15H10Cl2O, and the molecular weight is 277.14 g/mol. InChIKey YMEMCRBNZSLQCQ-XCVCLJGOSA-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.