2,2,2,4'-Tetrafluoroacetophenone - ≥98%(GC) , CAS No.655-32-3

CAS: 655-32-3 Cat. No.: T162005 分子式: C₈H₄F₄O 分子量: 192.11 Beilstein Registry Number: 1872820 EC番号: 211-509-4 PubChem CID: 69564

GRADE & PURITY ≥98%(GC)

Synonyms

1-(4-Fluorophenyl)-2,2,2trifluoroethanone | 1-(4-fluorophenyl)-2,2,2-trifluoroethanone | 4'-Fluoro-2,2,2-trifluoroacetophenone | DTXSID3060958 | NSC 158171 | 1-(4-Fluorophenyl)-2,2,2-trifluoroethan-1-one | Acetophenone, 2,2,2,4'-tetrafluoro | Acetophenone

Storage

Store at 2-8°C

Shipped In

Wet ice

概要

2,2,2,4′-Tetrafluoroacetophenone (α,α,α,4-Tetrafluoroacetophenone, 2,2,2-trifluoro-1-(4-fluorophenyl)ethanone) is a fluorinated building block. Its enthalpy of vaporization at boiling point has been reported.

Specifications

同義語

1-(4-Fluorophenyl)-2,2,2trifluoroethanone | 1-(4-fluorophenyl)-2,2,2-trifluoroethanone | 4'-Fluoro-2,2,2-trifluoroacetophenone | DTXSID3060958 | NSC 158171 | 1-(4-Fluorophenyl)-2,2,2-trifluoroethan-1-one | Acetophenone, 2,2,2,4'-tetrafluoro | Acetophenone

仕様と純度

≥98%(GC)

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%(GC)

名前と識別子

パブケム・シド

508807548

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/508807548

カノニカル・スマイル

C1=CC(=CC=C1C(=O)C(F)(F)F)F

IUPAC Name

2,2,2-trifluoro-1-(4-fluorophenyl)ethanone

InChIKey

LUKLMXJAEKXROG-UHFFFAOYSA-N

INCHI

1S/C8H4F4O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4H

異性体SMILES

C1=CC(=CC=C1C(=O)C(F)(F)F)F

WGKドイツ

3

PubChem CID

69564

分子量

192.11

Beilstein

1872820

Reaxy-Rn

1872824

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: Benzoyl derivatives Aryl alkyl ketones Fluorobenzenes Aryl fluorides Alpha-haloketones Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Fluorobenzene - Halobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Alpha-haloketone - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic oxide - Hydrocarbon derivative - 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

化学的性質と物理的性質

• 屈折率: 1.448 (lit.)
• 引火点（°F）: 89.6 °F
• 引火点（°C）: 32 °C
• 沸点（°C）: 66-67 °C/34 mmHg (lit.)
• 融点（°C）: 24-27 °C (lit.)
• 分子量: 192.110 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 192.02 Da
• Monoisotopic Mass: 192.02 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 191.000
• 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