3-Chloro-1,2,4-triazole

Name: 3-Chloro-1,2,4-triazole
Brand: ChemScene
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CAS No. 6818-99-1
Cat. No. CS-W011303
Purity≥96%
MDL No.MFCD00128812

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Structure of 6818-99-1

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Description

3-Chloro-1,2,4-triazole is a heterocyclic compound featuring a chlorine substituent at the 3-position of the 1,2,4-triazole ring. This electron-deficient scaffold serves as a key building block in medicinal chemistry and agrochemical synthesis, offering enhanced reactivity for C–H functionalization and transition-metal-catalyzed coupling processes.

Application

3-Chloro-1,2,4-triazole serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient construction of triazolyl-containing scaffolds. Its electrophilic chlorine substituent facilitates nucleophilic substitution reactions under mild conditions, supporting the installation of diverse functional groups. The compound exhibits good bench stability and compatibility with common protecting group strategies, making it well-suited for iterative synthesis workflows and scalable process development.

General Information

CAS No. 6818-99-1
Cat. No. CS-W011303
Purity ≥96%
MDL No. MFCD00128812
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂H₂ClN₃
Molecular Weight 103.51
Synonym(s) s-Triazole, 3-chloro- (VAN) (8CI)
SMILES ClC1=NNC=N1

Computational Chemistry Data

TPSA 41.57
LogP 0.4581
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Safety Information

Download SDS

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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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Key Words

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3-Chloro-1,2,4-triazole

CAS No. 6818-99-1

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