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CS-W001157 4
Total: USD 88.00

NSC 127234

  • CAS No. 5509-65-9

  • Cat. No. CS-W020001
  • Purity≥98%
  • MDL No.MFCD00007655

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

NSC 127234|CS-W020001

Structure of 5509-65-9

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General Information

  • CAS No. 5509-65-9
  • Cat. No. CS-W020001
  • Purity ≥98%
  • MDL No. MFCD00007655
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅F₂N
  • Molecular Weight 129.11
  • Synonym(s) 7-fluoro-1-benzothiophene-2-carboxylic acid
  • SMILES NC1=C(F)C=CC=C1F

Description

2,6-Difluoroaniline was used in the synthesis of:N-2,6-difluorophenyl-5-methoxy-1,2,4-triazolo[1,5-a]pyrimidine-2-sulfonamide, herbicidal compoundseries of 2,6,9-trisubstituted purine inhibitors of p38 kinasesubstituted phenylthiomorpholine dioxide, an active pharmaceutical intermediate

Application

2,6-Difluoroaniline serves as a valuable building block in medicinal chemistry and agrochemical synthesis, offering enhanced metabolic stability and improved solubility compared to unsubstituted anilines. Its ortho-fluoro substituents enable selective electrophilic substitution and facilitate coupling reactions via Pd-catalyzed cross-coupling protocols. The molecule exhibits good bench stability and is compatible with common protecting group strategies, enabling efficient access to complex heterocyclic scaffolds and functionalized aromatic systems in multi-step syntheses.

Synthesis

  • Route1
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      87-61-6
    • ~%
    • In-stock
      NSC 127234|CS-W020001
      5509-65-9

    References

    • Journal of Fluorine Chemistry, , vol. 53, # 3 p. 379 - 386
  • Route2
    • In-stock
      2-Chloro-1,3-difluorobenzene|CS-W018183
      38361-37-4
    • ~69%
    • null|null
      367-11-3
    • In-stock
      NSC 127234|CS-W020001
      5509-65-9

    References

    • Journal of Fluorine Chemistry, , vol. 53, # 3 p. 379 - 386
  • Route3

    References

    • US5294742 A1, ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Warning
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226
Precautionary Statements : P210-P233-P240-P241-P242-P243-P280-P370+P378-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.02
  • LogP   1.547
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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