2,2,2,3′-Tetrafluoroacetophenone - ≥98% , CAS No.708-64-5

CAS: 708-64-5 Cat. No.: T474387 Formule: C₈H₄F₄O Poids moléculaire: 192.11 Numéro CE: 211-903-6 PubChem CID: 69723

GRADE & PURITY ≥98%

Synonyms

2,2,2-trifluoro-1-( 3-fluorophenyl)ethanone | NSC158170 | AKOS009157033 | Acetophenone,2,2,3'-tetrafluoro- | AMY18968 | m,.alpha.,.alpha.-Tetrafluoroacetophenone | 2,2,2-Trifluoro-1-(3-fluorophenyl)ethan-1-one | 2,2,2,3'-Tetrafluoroacetophenone, 99% | Eth

Storage

Store at 2-8°C

Shipped In

Wet ice

Vue d’ensemble

Description

2,2,2,3′-Tetrafluoroacetophenone (m-fluorotrifluoroacetophenone, α,α,α,3-Tetrafluoroacetophenone) is a fluorine substituted aryl alkyl ketone. Electron transfer quenching ofm-fluorotrifluoroacetophenone has been studied.

Specifications

Synonymes

2,2,2-trifluoro-1-( 3-fluorophenyl)ethanone | NSC158170 | AKOS009157033 | Acetophenone,2,2,3'-tetrafluoro- | AMY18968 | m,.alpha.,.alpha.-Tetrafluoroacetophenone | 2,2,2-Trifluoro-1-(3-fluorophenyl)ethan-1-one | 2,2,2,3'-Tetrafluoroacetophenone, 99% | Eth

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

528755092

Sourires canoniques

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

IUPAC Name

2,2,2-trifluoro-1-(3-fluorophenyl)ethanone

InChIKey

NQSPTMFCJGKOQJ-UHFFFAOYSA-N

INCHI

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

Isomères SMILES

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

PubChem CID

69723

Poids moléculaire

192.11

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• 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

Propriétés chimiques et physiques

• Point d'ébullition (°C): 79/50mm
• Poids moléculaire: 192.110 g/mol
• XLogP3: 2.900
• 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: 199.000
• 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