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CS-W001157 4
Total: USD 88.00

1,3-Difluoro-2-nitrobenzene

  • CAS No. 19064-24-5

  • Cat. No. CS-W002503
  • Purity≥98%
  • MDL No.MFCD00192035

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

1,3-Difluoro-2-nitrobenzene|CS-W002503

Structure of 19064-24-5

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General Information

  • CAS No. 19064-24-5
  • Cat. No. CS-W002503
  • Purity ≥98%
  • MDL No. MFCD00192035
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₃F₂NO₂
  • Molecular Weight 159.09
  • Synonym(s) O-(4-bromo-2-fluoro-phenyl) N,N-dimethylcarbamothioate
  • SMILES [O-][N+](=O)c1c(F)cccc1F

Description

2,6-Difluoronitrobenzene is an organic building block. Molecular structure, conformation and potential to internal rotation of 2,6-difluoronitrobenzene been studied by gas-phase electron diffraction (GED), MP2 ab initio, and by B3LYP density functional calculations.2,6-Difluoronitrobenzene may be used in the preparation of secondary amine precursors, required for the synthesis of two families of nitric oxide donors.

Synthesis

  • Route1

    References

    • Wyeth Patent: US2008/153873 A1, 2008 ; Location in patent: Page/Page column 20 ; US 20080153873 A1
  • Route2
    • In-stock
      NSC 127234|CS-W020001
      5509-65-9
    • null|null
      74087-85-7
    • ~98%
    • In-stock
      1,3-Difluoro-2-nitrobenzene|CS-W002503
      19064-24-5

    References

    • Murray, Robert W.; Rajadhyaksha, Shirish N.; Mohan, Lily Journal of Organic Chemistry, 1989 , vol. 54, # 24 p. 5783 - 5788
  • Route3
    • null|null
      29270-54-0
    • ~%
    • In-stock
      1,3-Difluoro-2-nitrobenzene|CS-W002503
      19064-24-5

    References

    • Yang, Fei; Yan, Liwei; Ma, Kuoyan; Yang, Li; Li, Jihong; Chen, Lijuan; You, Jinsong European Journal of Organic Chemistry, 2006 , # 5 p. 1109 - 1112

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-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   1.873
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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