4'-Fluoroacetophenone - ≥98% , CAS No.403-42-9

CAS: 403-42-9 Cat. No.: F101384 分子式: C₈H₇FO 分子量: 138.14 Beilstein Registry Number: 386013 EC番号: 206-960-9

GRADE & PURITY ≥98%

Synonyms

Ethanone, 1-(4-fluorophenyl)- | F0001-1142 | PS-9091 | 4' -fluoroacetophenone | 4- fluoroacetophenone | 4'-Fluoroacetophenone | 4'-fluoro-acetophenone | 4-FLUOROACETOPHENONE | AC-3641 | p-Fluoroacetophenone | Q27290448 | 4-fluoroaceto phenone | InChI=1/C8

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

Ethanone, 1-(4-fluorophenyl)- | F0001-1142 | PS-9091 | 4' -fluoroacetophenone | 4- fluoroacetophenone | 4'-Fluoroacetophenone | 4'-fluoro-acetophenone | 4-FLUOROACETOPHENONE | AC-3641 | p-Fluoroacetophenone | Q27290448 | 4-fluoroaceto phenone | InChI=1/C8

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

• パブケム・シド: 488181037
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488181037
• カノニカル・スマイル: CC(=O)C1=CC=C(C=C1)F
• IUPAC Name: 1-(4-fluorophenyl)ethanone
• InChIKey: ZDPAWHACYDRYIW-UHFFFAOYSA-N
• INCHI: 1S/C8H7FO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3
• 異性体SMILES: CC(=O)C1=CC=C(C=C1)F
• WGKドイツ: 3
• 分子量: 138.14
• Beilstein: 386013
• Reaxy-Rn: 386013
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386013&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Acetophenones Benzoyl derivatives Aryl alkyl ketones Fluorobenzenes Aryl fluorides Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Aryl alkyl ketone - Benzoyl - Halobenzene - Fluorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Organic oxide - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• 説明: 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

関連ターゲット（人間）

TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

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

作用メカニズム

化学的性質と物理的性質

• 屈折率: 1.511
• 引火点（°F）: 159.8 °F
• 引火点（°C）: 71 °C
• 沸点（°C）: 196°C
• 分子量: 138.140 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 138.048 Da
• Monoisotopic Mass: 138.048 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 125.000
• 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

参考文献

1. Huawei Niu, Xintong Mi, Xinting Hua, Yuanyuan Zhang, Yaping Zhai, Fangyuan Qin, Yong Ye, Yufen Zhao.  (2021)  A bifunctional fluorescent probe based on “AND logic” for the simultaneous recognition of H2S/HNO and its bioimaging applications.  ANALYTICA CHIMICA ACTA,      [PMID:35057948] [10.1016/j.aca.2021.339341]

2. Weinan Gong, Bin Xu, Xiaoshuang Yin, Ying Liu, Yun Chen, Wenzhong Yang.  (2019)  Halogen-substituted thiazole derivatives as corrosion inhibitors for mild steel in 0.5 M sulfuric acid at high temperature.  Journal of the Taiwan Institute of Chemical Engineers,      [PMID:] [10.1016/j.jtice.2019.02.018]

3. Wen-Qiang Zhang, Xiu-Li Wang, Gui-Cheng Liu, Li Chen, Yu-Zhong Wang.  (2016)  Thermal transition behaviors, solubility, and mechanical properties of wholly aromatic para-, meta-poly(ether-amide)s: effect on numbers of para-aryl ether linkages.  RSC Advances,  6  (87): (84284-84293).  [PMID:] [10.1039/C6RA11163G]

4. De-Ming Guo, Teng Fu, Chao Ruan, Xiu-Li Wang, Li Chen, Yu-Zhong Wang.  (2015)  A new approach to improving flame retardancy, smoke suppression and anti-dripping of PET: Via arylene-ether units rearrangement reactions at high temperature.  POLYMER,      [PMID:] [10.1016/j.polymer.2015.09.016]

5. Bin Chen, Jun Hu, Zhihao Yu, Lin Zhu, Chunzheng Wu, Hongbo Yu.  (2025)  Improving the Activity and Selectivity of Ir/SiO2 for the Selective Hydrogenation of Unsaturated Carbonyl Compounds by SnO2 Promotion.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.4c04318]

6. Zhongwei Wang, Hu Li, Wenfeng Zhao, Song Yang.  (2018)  Low-temperature and solvent-free production of biomass-derived diesel-range C17 precursor via one-pot cascade acylation–alkylation over Sn4+-montmorillonite.  JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY,      [PMID:] [10.1016/j.jiec.2018.05.047]

よくある質問

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 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 403-42-9, the molecular formula is C8H7FO, and the molecular weight is 138.14 g/mol. InChIKey ZDPAWHACYDRYIW-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.