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CS-W001157 4
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1-(bromomethyl)cyclopropanecarbonitrile

  • CAS No. 98730-78-0

  • Cat. No. CS-W001266
  • Purity≥96%
  • MDL No.None

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

1-(bromomethyl)cyclopropanecarbonitrile|CS-W001266

Structure of 98730-78-0

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General Information

  • CAS No. 98730-78-0
  • Cat. No. CS-W001266
  • Purity ≥96%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₆BrN
  • Molecular Weight 160.01
  • Synonym(s) 1-(Bromomethyl)cyclopropane-1-carbonitrile
  • SMILES BrCC1(CC1)C#N

Description

1-(Bromomethyl)cyclopropanecarbonitrile features a strained cyclopropyl ring fused to a bromomethyl and nitrile group, enabling selective functionalization in synthetic routes. The bromide serves as a potent electrophilic handle for nucleophilic substitution, while the adjacent nitrile enhances reactivity and directs regioselective transformations. This compound proves valuable in constructing complex heterocycles and bioactive scaffolds under mild conditions.

Application

1-(Bromomethyl)cyclopropanecarbonitrile serves as a versatile bifunctional building block, enabling efficient construction of cyclopropyl-containing heterocycles and pharmaceutical scaffolds. The bromomethyl group facilitates nucleophilic substitution reactions, while the nitrile moiety offers compatibility with standard functional group transformations. Its bench-stable nature and ease of purification make it well-suited for iterative synthetic sequences in medicinal chemistry and process 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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   1.68508
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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