2′-Hydroxy-3-phenylpropiophenone - ≥97% , CAS No.3516-95-8

CAS: 3516-95-8 Cat. No.: H103570 Fórmula: C₁₅H₁₄O₂ Peso molecular: 226.27 Beilstein Registry Number: 8(4)1313 Número CE: 222-521-4

GRADE & PURITY ≥97%

Synonyms

H1313 | 1-Propanone, 1-(2-hydroxyphenyl)-2-phenyl- | D8Z6E4IR2J | 2-Hydroxyphenyl Phenethyl Ketone | Propafenone Hydrochloride Imp. A (EP); Propafenone Imp. A (EP); 2'-Hydroxy-3-phenylpropiophenone; Propafenone Hydrochloride Impurity A; Propafenone Impuri

Storage

Room temperature

Shipped In

Normal

Visão geral

It is a colorless to yellow liquid or solid. 2′-Hydroxy-3-phenylpropiophenone derivatives show antiarrhythmic,spasmolytic and local anaesthetic activities.

Specifications

Sinónimos

H1313 | 1-Propanone, 1-(2-hydroxyphenyl)-2-phenyl- | D8Z6E4IR2J | 2-Hydroxyphenyl Phenethyl Ketone | Propafenone Hydrochloride Imp. A (EP); Propafenone Imp. A (EP); 2'-Hydroxy-3-phenylpropiophenone; Propafenone Hydrochloride Impurity A; Propafenone Impuri

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 504755139
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755139
• Sorrisos canónicos: C1=CC=C(C=C1)CCC(=O)C2=CC=CC=C2O
• IUPAC Name: 1-(2-hydroxyphenyl)-3-phenylpropan-1-one
• InChIKey: JCPGMXJLFWGRMZ-UHFFFAOYSA-N
• INCHI: 1S/C15H14O2/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2
• SMILES isoméricas: C1=CC=C(C=C1)CCC(=O)C2=CC=CC=C2O
• WGK Alemanha: 3
• Peso molecular: 226.27
• Beilstein: 8(4)1313
• Reaxy-Rn: 1966881
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1966881&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Linear 1,3-diarylpropanoids
• Subclass: Chalcones and dihydrochalcones
• Intermediate Tree Nodes: Not available
• Direct Parent: 2'-Hydroxy-dihydrochalcones
• Alternative Parents: Cinnamylphenols Alkyl-phenylketones Butyrophenones Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2'-hydroxy-dihydrochalcone - Cinnamylphenol - Alkyl-phenylketone - Butyrophenone - Phenylketone - Benzoyl - Aryl ketone - Aryl alkyl ketone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Ketone - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 2'-hydroxy-dihydrochalcones. These are organic compounds containing dihydrochalcone skeleton that carries a hydroxyl group at the 2'-position.
• 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

Alvos associados (não humanos)

Dermatophagoides pteronyssinus (58 Activities)

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Trypanosoma cruzi (99888 Activities)

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L929 (3802 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in Chloroform, Dichloromethane, Ethanol and Methanol
• Índice de refração: 1.6
• Ponto de inflamação (°F): 235.4 °F
• Ponto de inflamação (°C): 113 °C
• Ponto de ebulição (°C): 158 °C/2 mmHg
• Ponto de fusão (°C): 36-37°C
• Peso molecular: 226.270 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 226.099 Da
• Monoisotopic Mass: 226.099 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 243.000
• 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

Perguntas frequentes

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 3516-95-8, the molecular formula is C15H14O2, and the molecular weight is 226.27 g/mol. InChIKey JCPGMXJLFWGRMZ-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.