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CS-W001157 4
Total: USD 88.00

5-(Aminomethyl)-2-chlorobenzonitrile

  • CAS No. 1261499-40-4

  • Cat. No. CS-0171054
  • Molecule weightNone
  • Purity≥96%
  • MDL No.MFCD18392457

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

5-(Aminomethyl)-2-chlorobenzonitrile|CS-0171054

Structure of 1261499-40-4

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General Information

  • CAS No. 1261499-40-4
  • Cat. No. CS-0171054
  • Purity ≥96%
  • MDL No. MFCD18392457
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇ClN₂
  • Molecular Weight None
  • Synonym(s) 4-Chloro-3-cyanobenzylamine
  • SMILES C1=CC(=C(C=C1CN)C#N)Cl

Description

5-(Aminomethyl)-2-chlorobenzonitrile features a strategically positioned nitrile group and chloro substituent on a benzene ring, enabling selective functionalization in medicinal chemistry. The aminomethyl handle facilitates conjugation or derivatization under mild conditions, offering a robust scaffold for targeted molecular design.

Application

5-(Aminomethyl)-2-chlorobenzonitrile serves as a versatile building block in medicinal chemistry, enabling efficient access to substituted benzimidazoles and other heterocyclic scaffolds via cyclization reactions. The ortho-chloro and nitrile groups provide orthogonal reactivity for palladium-catalyzed coupling and nucleophilic addition, respectively. Its bench-stable nature and compatibility with common protecting group strategies facilitate straightforward purification and downstream functionalization.

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

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Computational Chemistry Data

  • TPSA   49.81
  • LogP   1.67038
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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