2'-Fluoro-4'-hydroxyacetophenone - ≥98%(GC) , CAS No.98619-07-9

CAS: 98619-07-9 Cat. No.: F124233 Formula: C₈H₇FO₂ Molecular Weight: 154.14 Beilstein Registry Number: 696642 EC Number: 619-366-3

GRADE & PURITY ≥98%(GC)

Synonyms

FT-0610912 | Ethanone, 1-(2-fluoro-4-hydroxyphenyl)- | 4'-Hydroxy-2'-fluoroacetophenone | 4-Hydroxy-2-fluoroacetophenone | 1-(2-fluoro-4-hydroxyphenyl)-1-ethanone | AC-8955 | 2-Fluoro-4-hydroxy acetophenone | 2'-Fluoro-4'-hydroxyacetophenone | 2'-Fluoro-4

Storage

Room temperature

Shipped In

Normal

Overview

Application：

2'-Fluoro-4'-hydroxyacetophenone is used in used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff

Specifications

Synonyms

FT-0610912 | Ethanone, 1-(2-fluoro-4-hydroxyphenyl)- | 4'-Hydroxy-2'-fluoroacetophenone | 4-Hydroxy-2-fluoroacetophenone | 1-(2-fluoro-4-hydroxyphenyl)-1-ethanone | AC-8955 | 2-Fluoro-4-hydroxy acetophenone | 2'-Fluoro-4'-hydroxyacetophenone | 2'-Fluoro-4

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

Pubchem Sid

488192322

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192322

Canonical Smiles

CC(=O)C1=C(C=C(C=C1)O)F

IUPAC Name

1-(2-fluoro-4-hydroxyphenyl)ethanone

InChIKey

ZCZIRBNZMFUCOH-UHFFFAOYSA-N

INCHI

1S/C8H7FO2/c1-5(10)7-3-2-6(11)4-8(7)9/h2-4,11H,1H3

Isomeric SMILES

CC(=O)C1=C(C=C(C=C1)O)F

Molecular Weight

154.14

Beilstein

696642

Reaxy-Rn

6966442

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6966442&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Acetophenones M-fluorophenols Benzoyl derivatives Aryl alkyl ketones Fluorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Vinylogous halides Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Aryl alkyl ketone - Benzoyl - 3-fluorophenol - 3-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Vinylogous halide - Organofluoride - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• 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

Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water.
• Melt Point(°C): 121-123°C
• Molecular Weight: 154.140 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 154.043 Da
• Monoisotopic Mass: 154.043 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 158.000
• 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

Frequently Asked Questions

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 98619-07-9, the molecular formula is C8H7FO2, and the molecular weight is 154.14 g/mol. InChIKey ZCZIRBNZMFUCOH-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.