5-Bromo-1,2,4-triazole-3-carbonitrile

Name: 5-Bromo-1,2,4-triazole-3-carbonitrile
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CAS No. 1427475-12-4
Cat. No. CS-0044487
Purity≥97%
MDL No.MFCD23381102

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FedEx Limited Quantities Ground	$0.00
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5-Bromo-1,2,4-triazole-3-carbonitrile|CS-0044487

Structure of 1427475-12-4

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General Information

CAS No. 1427475-12-4
Cat. No. CS-0044487
Purity ≥97%
MDL No. MFCD23381102
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₃HBrN₄
Molecular Weight 172.97
Synonym(s) 5-Bromo-1H-1,2,4-triazole-3-carbonitrile
SMILES N#CC1=NNC(Br)=N1

Description

5-Bromo-1,2,4-triazole-3-carbonitrile features a brominated triazole core paired with a nitrile group, enabling robust coupling in heterocyclic synthesis. This electron-deficient scaffold integrates readily into pharmaceutical and agrochemical intermediates under standard conditions.

Application

5-Bromo-1,2,4-triazole-3-carbonitrile serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient construction of triazolyl heterocycles via palladium-catalyzed cross-coupling. The bromo group facilitates C–C bond formation under standard Suzuki, Stille, or Negishi conditions, while the nitrile functions as a handle for further functionalization. Its bench-stable solid form and predictable reactivity make it ideal for modular synthesis workflows.

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+P364-P405-P501

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Computational Chemistry Data

TPSA 65.36
LogP 0.43888
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Key Words

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5-Bromo-1,2,4-triazole-3-carbonitrile

CAS No. 1427475-12-4

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