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CS-W001157 4
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4-(Methylamino)benzonitrile

  • CAS No. 4714-62-9

  • Cat. No. CS-W002103
  • Purity≥96%
  • MDL No.MFCD00016381

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

4-(Methylamino)benzonitrile|CS-W002103

Structure of 4714-62-9

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General Information

  • CAS No. 4714-62-9
  • Cat. No. CS-W002103
  • Purity ≥96%
  • MDL No. MFCD00016381
  • Storage RT, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈N₂
  • Molecular Weight 132.16
  • Synonym(s) 4-(N-METHYLAMINO)BENZONITRILE
  • SMILES CNc1ccc(cc1)C#N

Description

4-(Methylamino)benzonitrile features a para-substituted benzene ring bearing both an electron-donating methylamino group and a strongly electron-withdrawing nitrile moiety, creating a polarized system ideal for cross-coupling reactions. This dual functionality enables efficient integration into pharmaceutical scaffolds and advanced materials. The compound exhibits good solubility in common organic solvents and stable handling under standard bench conditions.

Application

4-(Methylamino)benzonitrile serves as a versatile building block in medicinal chemistry, enabling the construction of heterocyclic scaffolds via cyclization reactions. Its ortho-directed reactivity facilitates functionalization at the aromatic ring, while the nitrile group offers compatibility with nucleophilic additions and transition-metal-catalyzed transformations. Bench-stable and readily purified by recrystallization, it functions effectively in multistep syntheses requiring robust functional group tolerance.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   35.82
  • LogP   1.59998
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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