2-(4-Chloro-1H-pyrazol-1-yl)acetic acid

Name: 2-(4-Chloro-1H-pyrazol-1-yl)acetic acid
Brand: ChemScene
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CAS No. 32089-46-6
Cat. No. CS-D0595
Purity≥98%
MDL No.MFCD00036053

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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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2-(4-Chloro-1H-pyrazol-1-yl)acetic acid|CS-D0595

Structure of 32089-46-6

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General Information

CAS No. 32089-46-6
Cat. No. CS-D0595
Purity ≥98%
MDL No. MFCD00036053
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅H₅ClN₂O₂
Molecular Weight 160.56
Synonym(s) (4-Chloro-pyrazol-1-yl)-acetic acid
SMILES ClC1=CN(CC(O)=O)N=C1

Description

This pyrazole-acetic acid derivative integrates a chlorinated pyrazole ring with a reactive carboxylic acid group, enabling direct conjugation in synthetic transformations. The electron-withdrawing chlorine enhances electrophilicity at the adjacent carbon, facilitating nucleophilic addition or coupling reactions under mild conditions. Its bench-stable nature supports reliable use in medicinal chemistry and process development workflows.

Application

2-(4-Chloro-1H-pyrazol-1-yl)acetic acid serves as a versatile building block for medicinal chemistry and heterocyclic synthesis, enabling efficient access to pyrazole-based pharmacophores. Its carboxylic acid functionality facilitates direct coupling reactions or derivatization, while the 4-chloro substitution provides a handle for nucleophilic displacement or palladium-catalyzed cross-coupling. The compound exhibits good bench stability and is readily purified by recrystallization or chromatography, supporting its use in scalable API intermediate 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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 55.12
LogP 0.6211
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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2-(4-Chloro-1H-pyrazol-1-yl)acetic acid

CAS No. 32089-46-6

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