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1H-Indazole-7-carbonitrile

  • CAS No. 256228-64-5

  • Cat. No. CS-0044714
  • Purity≥98%
  • MDL No.MFCD10696804

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

1H-Indazole-7-carbonitrile|CS-0044714

Structure of 256228-64-5

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General Information

  • CAS No. 256228-64-5
  • Cat. No. CS-0044714
  • Purity ≥98%
  • MDL No. MFCD10696804
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅N₃
  • Molecular Weight 143.15
  • Synonym(s) Indazole-7-carbonitrile
  • SMILES N#CC1=CC=CC2=C1NN=C2

Description

1H-Indazole-7-carbonitrile is a bench-stable heterocyclic building block featuring a nitrile group at the 7-position, enabling direct functionalization in synthetic routes. The electron-deficient indazole core facilitates coupling reactions and serves as a key scaffold in medicinal chemistry for targeted molecular design.

Application

1H-Indazole-7-carbonitrile serves as a versatile building block in medicinal chemistry, enabling the construction of heterocyclic scaffolds via palladium-catalyzed coupling reactions. Its nitrile group exhibits robust functional group tolerance and facilitates downstream transformations such as hydrolysis to carboxylic acids or reduction to primary amines. The molecule demonstrates excellent bench stability and ease of purification, making it well-suited for scalable synthesis and parallel compound library generation.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P264-P270-P330-P405-P501

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Computational Chemistry Data

  • TPSA   52.47
  • LogP   1.43458
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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