4-Fluoro-4'-hydroxybenzophenone - ≥98%(GC) , CAS No.25913-05-7

CAS: 25913-05-7 Cat. No.: F156637 Formula: C₁₃H₉FO₂ Peso molecolare: 216.21 Numero EC: 247-340-8

GRADE & PURITY ≥98%(GC)

Synonyms

4-hydroxy-4'-fluorobenzophenone | FT-0638556 | DTXSID90180587 | Z104497522 | 4-fluorophenyl 4-hydroxyphenyl ketone | CCG-288026 | 4-fluoro-4'- hydroxylbenzophenone? | 4-Fluoro-4'-hydroxybenzopheone | MEDRYSONE [WHO-DD] | NCGC00343115-01 | F0269 | Methanon

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

4-hydroxy-4'-fluorobenzophenone | FT-0638556 | DTXSID90180587 | Z104497522 | 4-fluorophenyl 4-hydroxyphenyl ketone | CCG-288026 | 4-fluoro-4'- hydroxylbenzophenone? | 4-Fluoro-4'-hydroxybenzopheone | MEDRYSONE [WHO-DD] | NCGC00343115-01 | F0269 | Methanon

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

• Pubchem Sid: 488187547
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187547
• Sorrisi canonici: C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)F)O
• IUPAC Name: (4-fluorophenyl)-(4-hydroxyphenyl)methanone
• InChIKey: HLRVUOFDBXRZBI-UHFFFAOYSA-N
• INCHI: 1S/C13H9FO2/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,15H
• Isomeri SMILES: C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)F)O
• Peso molecolare: 216.21
• Reaxy-Rn: 2049955
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2049955&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Benzoyl derivatives Fluorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Diphenylmethane - Aryl-phenylketone - Benzoyl - Aryl ketone - Phenol - Halobenzene - Fluorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Aryl fluoride - Aryl halide - Ketone - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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 (umani)

DHFR Tclin Dihydrofolate reductase (3072 Activities)

Discover Target: DHFR

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 168 °C
• Peso molecolare: 216.210 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 216.059 Da
• Monoisotopic Mass: 216.059 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 238.000
• 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, and how is it determined?

This product is supplied at ≥98% 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 25913-05-7, the molecular formula is C13H9FO2, and the molecular weight is 216.21 g/mol. InChIKey HLRVUOFDBXRZBI-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.