2′-Idrossi-3-fenilpropiofenone - ≥97% , CAS No.3516-95-8

CAS: 3516-95-8 Cat. No.: H103570 Formula: C₁₅H₁₄O₂ Peso molecolare: 226.27 Beilstein Registry Number: 8(4)1313 Numero EC: 222-521-4

GRADE & PURITY ≥97%

Synonyms

H1313 | 1-Propanone, 1-(2-idrossifenil)-2-fenil- | D8Z6E4IR2J | 2-idrossifenil-fenetilchetone | Propafenone cloridrato Imp. A (EP); Propafenone Imp. A (EP); 2'-idrossi-3-fenilpropifenone; Propafenone cloridrato Impurezza A; Propafenone Impuri

Storage

Room temperature

Shipped In

Normale

Panoramica

È un liquido o un solido incolore o giallo. i derivati del 2′-idrossi-3-fenilpropiofenone mostrano attività antiaritmiche, spasmolitiche e anestetiche locali.

Specifications

Sinonimi

H1313 | 1-Propanone, 1-(2-idrossifenil)-2-fenil- | D8Z6E4IR2J | 2-idrossifenil-fenetilchetone | Propafenone cloridrato Imp. A (EP); Propafenone Imp. A (EP); 2'-idrossi-3-fenilpropifenone; Propafenone cloridrato Impurezza A; Propafenone Impuri

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normale

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 504755139
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755139
• Sorrisi canonici: 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
• Isomeri SMILES: C1=CC=C(C=C1)CCC(=O)C2=CC=CC=C2O
• WGK Germania: 3
• Peso molecolare: 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
• Descrizione: 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

Obiettivi associati (non umani)

Dermatophagoides pteronyssinus (58 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Trypanosoma cruzi (99888 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

L929 (3802 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in Chloroform, Dichloromethane, Ethanol and Methanol
• Indice di rifrazione: 1.6
• Punto di infiammabilità (°F): 235.4 °F
• Punto di infiammabilità (°C): 113 °C
• Punto di ebollizione (°C): 158 °C/2 mmHg
• Punto di fusione (°C): 36-37°C
• Peso molecolare: 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

Domande frequenti

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.