2',3',4',5',6'-Pentafluoroacetophenone - ≥98%(GC) , CAS No.652-29-9

CAS: 652-29-9 Cat. No.: P160443 Molecular Weight: 210.1 EC Number: 211-487-6 PubChem CID: 69546

GRADE & PURITY ≥98%(GC)

Synonyms

2 inverted exclamation mark ,3 inverted exclamation mark ,4 inverted exclamation mark ,5 inverted exclamation mark ,6 inverted exclamation mark -Pentafluoroacetophenone | DTXSID50215506 | 2',3',4',5',6'-Pentafluoroacetophenone, 97% | P0921 | GS-6141 | 1-(

Storage

Room temperature

Shipped In

Normal

Overview

Product Introduction

Effect of magnetic field on the photochemical hydrogen abstraction of 2′,3′,4′,5′,6′-pentafluoroacetophenone in a Brij 35 micellar solution has been studied by nanosecond laser flash photolysis technique.

Product Usage

2′,3′,4′,5′,6′-Pentafluoroacetophenone was used in asymmetric synthesis of chiral alcohols using ketoreductase isolated from cyanobacterium Synechococcus sp. strain PCC 7942. It was also used in the synthesis of benzalpentafluoroacetophenone and 2,3-dihydryl-F-benzalacetophenone.

Specifications

Synonyms

2 inverted exclamation mark , 3 inverted exclamation mark , 4 inverted exclamation mark , 5 inverted exclamation mark , 6 inverted exclamation mark -Pentafluoroacetophenone | DTXSID50215506 | 2', 3', 4', 5', 6'-Pentafluoroacetophenone, 97% | P0921 | GS-6141 | 1-(

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488184350
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184350
• Canonical Smiles: CC(=O)C1=C(C(=C(C(=C1F)F)F)F)F
• IUPAC Name: 1-(2,3,4,5,6-pentafluorophenyl)ethanone
• InChIKey: FBGHCYZBCMDEOX-UHFFFAOYSA-N
• INCHI: 1S/C8H3F5O/c1-2(14)3-4(9)6(11)8(13)7(12)5(3)10/h1H3
• Isomeric SMILES: CC(=O)C1=C(C(=C(C(=C1F)F)F)F)F
• WGK Germany: 3
• PubChem CID: 69546
• Molecular Weight: 210.1
• Reaxy-Rn: 2053225

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 Benzoyl derivatives Aryl alkyl ketones Fluorobenzenes Aryl fluorides Vinylogous halides Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Aryl alkyl ketone - Benzoyl - 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

Chemical and Physical Properties

• Refractive Index: 1.4366
• Flash Point(°C): 66 °C
• Boil Point(°C): 130-131 °C
• Molecular Weight: 210.100 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 210.01 Da
• Monoisotopic Mass: 210.01 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 218.000
• 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

References

1. Jialin Zhao, Jian Gao, Yijia Lei, Jingyi Wu, Na Li, Yan Wang, Junjian Yu, Zhiyan Sui, Jiayao Yang, Zhe Wang.  (2024)  Excellently conductive fluorinated poly (acenaphthylenyl aryl piperidinium) anion exchange membranes with robust dimensional stability.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2024.122704]