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CS-W001157 4
Total: USD 88.00

NSC 190686

  • CAS No. 455-86-7

  • Cat. No. CS-W009127
  • Purity≥97%
  • MDL No.MFCD00011672

*For research and further manufacturing use only, not for direct human use.

NSC 190686|CS-W009127

Structure of 455-86-7

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General Information

  • CAS No. 455-86-7
  • Cat. No. CS-W009127
  • Purity ≥97%
  • MDL No. MFCD00011672
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄F₂O₂
  • Molecular Weight 158.10
  • Synonym(s) 3,4-Difluorobenzoic acid; Benzoic acid, 3,4-difluoro-
  • SMILES O=C(O)C1=CC=C(F)C(F)=C1

Description

3,4-Difluorobenzoic acid features a benzene ring bearing two fluorine atoms at the 3- and 4-positions, enhancing electron-withdrawal and metabolic stability. This configuration supports direct coupling reactions in medicinal chemistry and enables integration into bioactive scaffolds requiring polar, halogenated aromatic motifs.

Synthesis

  • Route1

    References

    • Jary, Walther; Poechlauer, Peter; Ganglberger, Thorsten Patent: US2003/216577 A1, 2003 ; Location in patent: Page/Page column 4 ;
  • Route2

    References

    • Pews, R. G.; Gall, J. A.; Little, J. C. Journal of Fluorine Chemistry, 1990 , vol. 50, # 3 p. 365 - 370
  • Route3

    References

    • Occidental Chemical Corporation Patent: US4937377 A1, 1990 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.663
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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