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CS-W001157 4
Total: USD 88.00

4-Bromophthalonitrile

  • CAS No. 70484-01-4

  • Cat. No. CS-W002532
  • Purity≥96%
  • MDL No.MFCD00221794

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

4-Bromophthalonitrile|CS-W002532

Structure of 70484-01-4

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General Information

  • CAS No. 70484-01-4
  • Cat. No. CS-W002532
  • Purity ≥96%
  • MDL No. MFCD00221794
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₃BrN₂
  • Molecular Weight 207.03
  • Synonym(s) 4-bromobenzene-1,2-dicarbonitrile
  • SMILES N#Cc1cc(Br)ccc1C#N

Description

4-Bromophthalonitrile features a bromine substituent at the para position relative to a nitrile group on a phthalonitrile core, enabling selective functionalization in cross-coupling reactions. This electron-deficient aromatic scaffold facilitates efficient palladium-catalyzed transformations and serves as a key building block in synthesizing conjugated materials and pharmaceutical intermediates.

Application

4-Bromophthalonitrile serves as a versatile building block in synthetic organic chemistry, enabling the construction of functionalized heterocycles and pharmaceutical intermediates. Its dual nitrile and bromine functionalities offer orthogonal reactivity for palladium-catalyzed cross-coupling and nucleophilic substitution reactions. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis workflows in medicinal chemistry and materials science.

Synthesis

  • Route1
    • 4-Bromophthalamide|CS-0366790
      490038-15-8
    • ~77%
    • In-stock
      4-Bromophthalonitrile|CS-W002532
      70484-01-4

    References

    • Nissan Chemical Industries, Ltd. Patent: EP2206749 A1, 2010 ; Location in patent: Page/Page column 23 ;
  • Route2

    References

    • Helvetica Chimica Acta, , vol. 87, # 4 p. 825 - 844
  • Route3

    References

    • Helvetica Chimica Acta, , vol. 87, # 4 p. 825 - 844

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302+H312-H315-H319-H331-H335-H402-H412
Precautionary Statements : P261-P273-P280

Quality Control

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Computational Chemistry Data

  • TPSA   47.58
  • LogP   2.19246
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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