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CS-W001157 4
Total: USD 88.00

3-Bromobenzonitrile

  • CAS No. 6952-59-6

  • Cat. No. CS-W003968
  • Purity≥97%
  • MDL No.MFCD00001796

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

3-Bromobenzonitrile|CS-W003968

Structure of 6952-59-6

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General Information

  • CAS No. 6952-59-6
  • Cat. No. CS-W003968
  • Purity ≥97%
  • MDL No. MFCD00001796
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄BrN
  • Molecular Weight 182.02
  • Synonym(s) m-Bromobenzonitrile
  • SMILES N#Cc1cccc(c1)Br

Description

3-Bromobenzonitrile features a bromine substituent at the meta position relative to a nitrile group on a benzene ring, enabling selective coupling reactions in pharmaceutical synthesis. This configuration imparts enhanced stability and facilitates directed functionalization in cross-coupling processes under standard conditions.

Application

3-Bromobenzonitrile serves as a versatile building block in medicinal chemistry and materials science, enabling palladium-catalyzed cross-coupling reactions such as Suzuki-Miyaura and Stille couplings. Its bromine and nitrile functionalities offer orthogonal reactivity for sequential functionalization. The compound exhibits good bench stability, facilitates straightforward purification by distillation or recrystallization, and functions efficiently in the synthesis of heterocyclic scaffolds and biaryl architectures relevant to pharmaceutical development.

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+H312+H332-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.32078
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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