5-Chloro-2-methyl-2H-indazole

Name: 5-Chloro-2-methyl-2H-indazole
Brand: ChemScene
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CAS No. 541539-86-0
Cat. No. CS-0097919
Purity≥97%
MDL No.None

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Type	HazMat Fee
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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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5-Chloro-2-methyl-2H-indazole|CS-0097919

Structure of 541539-86-0

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Description

5-Chloro-2-methyl-2H-indazole is a heterocyclic scaffold featuring a chlorine substituent at the 5-position and a methyl group at the 2-position, offering enhanced electron-deficiency and metabolic stability. This configuration enables efficient integration into bioactive molecules for medicinal chemistry applications.

Application

5-Chloro-2-methyl-2H-indazole serves as a versatile heterocyclic building block in medicinal chemistry, enabling efficient derivatization at the 3-position via palladium-catalyzed cross-coupling. Its chloro group provides a reliable handle for nucleophilic substitution, while the methyl substituent enhances metabolic stability and modulates electronic properties. The scaffold exhibits good bench stability and compatibility with common reaction conditions, facilitating rapid access to diverse analogs for structure-activity relationship studies.

General Information

CAS No. 541539-86-0
Cat. No. CS-0097919
Purity ≥97%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₇ClN₂
Molecular Weight 166.61
Synonym(s) None
SMILES CN1N=C2C=CC(Cl)=CC2=C1

Computational Chemistry Data

TPSA 17.82
LogP 2.2267
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Indazole compounds

Key Words

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5-Chloro-2-methyl-2H-indazole

CAS No. 541539-86-0

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