1H-1,2,4-Triazole-5-sulfonyl chloride

Name: 1H-1,2,4-Triazole-5-sulfonyl chloride
Brand: ChemScene
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CAS No. 6461-29-6
Cat. No. CS-0147882
Molecule weight167.57
Purity≥95%
MDL No.MFCD09972083

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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1H-1,2,4-Triazole-5-sulfonyl chloride|CS-0147882

Structure of 6461-29-6

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General Information

CAS No. 6461-29-6
Cat. No. CS-0147882
Purity ≥95%
MDL No. MFCD09972083
Storage 4°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂H₂ClN₃O₂S
Molecular Weight 167.57
Synonym(s) 4H-1,2,4-triazole-3-sulfonyl chloride
SMILES O=S(C1=NN=CN1)(Cl)=O

Description

1H-1,2,4-Triazole-5-sulfonyl chloride features a reactive sulfonyl chloride group tethered to a triazole heterocycle, enabling direct functionalization in synthetic transformations. This bench-stable reagent facilitates efficient incorporation of triazolyl sulfonamide motifs into complex molecular architectures under mild conditions.

Application

1H-1,2,4-Triazole-5-sulfonyl chloride serves as a versatile sulfonylating agent for the efficient introduction of triazolylsulfonyl groups into organic frameworks. It facilitates the synthesis of sulfonamide derivatives under mild conditions, exhibits good bench stability, and enables straightforward purification due to its reactivity profile. Functions effectively in coupling reactions with amines and heterocyclic nucleophiles, making it a practical building block for medicinal chemistry and agrochemical scaffold development.

Synthesis

Route1
- In-stock
  
  3179-31-5
- ~%
- In-stock
  
  6461-29-6
References
- US3952001 A1, ;

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS05
Signal Word : Danger	UN#: 3261
Class : 8	Packing Group : Ⅲ
Hazard Statements : H290-H314-H318
Precautionary Statements : P234-P260-P264-P280-P301+P330+P331-P304+P340-P363-P390-P405-P406-P501

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Computational Chemistry Data

TPSA 75.71
LogP -0.2678
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Key Words

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1H-1,2,4-Triazole-5-sulfonyl chloride

CAS No. 6461-29-6

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