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Chemical Structure| 1489-53-8 Chemical Structure| 1489-53-8

Structure of 1489-53-8

Chemical Structure| 1489-53-8

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Product Citations

Product Citations

Kristen Rose McGinnis ; Conor J. McGee ; Caroline Chick Jarrold ;

Abstract: Di-, tri-, and tetrafluorophenyl radicals each have three regioisomers, several of which can form multiple distinct radical structures. We present the photoelectron spectra of the di-, tri-, and tetrafluorophenide regioisomer anions generated from their associated precursors. By comparing the spectra to the results of density functional theory calculations, we determine that in cases where more than one possible radical isomer is possible for a given regioisomer (radicals formed from , 1,3-difluorobenzene, , and ) the most stable anion corresponds to a less stable neutral, suggesting that the reactive C-center on these fluorine-substituted phenyl groups can be controlled by charge state. Full analyses of the spectra and computational results yield further insights into the differences between the electronic and molecular structures of the radicals and their associated anions.

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Product Details of [ 1489-53-8 ]

CAS No. :1489-53-8
Formula : C6H3F3
M.W : 132.08
SMILES Code : FC1=C(F)C(F)=CC=C1
MDL No. :MFCD00012013
InChI Key :AJKNNUJQFALRIK-UHFFFAOYSA-N
Pubchem ID :15147

Safety of [ 1489-53-8 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H225-H315-H319-H335
Precautionary Statements:P210-P261-P305+P351+P338
Class:3
UN#:1993
Packing Group:

Application In Synthesis of [ 1489-53-8 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 1489-53-8 ]
  • Downstream synthetic route of [ 1489-53-8 ]

[ 1489-53-8 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 87-61-6 ]
  • [ 1489-53-8 ]
  • [ 2268-05-5 ]
  • [ 36556-50-0 ]
  • [ 36556-47-5 ]
  • [ 38361-37-4 ]
References: [1] Journal of Fluorine Chemistry, 1991, vol. 53, # 3, p. 379 - 386.
 

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