6-Chloro-2,5-dimethylpyridazin-3(2H)-one

Name: 6-Chloro-2,5-dimethylpyridazin-3(2H)-one
Brand: ChemScene
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CAS No. 1114563-59-5
Cat. No. CS-0153128
Purity≥98%
MDL No.MFCD27923628

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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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6-Chloro-2,5-dimethylpyridazin-3(2H)-one|CS-0153128

Structure of 1114563-59-5

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General Information

CAS No. 1114563-59-5
Cat. No. CS-0153128
Purity ≥98%
MDL No. MFCD27923628
Storage -20°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₇ClN₂O
Molecular Weight 158.59
Synonym(s) None
SMILES CC1=CC(=O)N(C)N=C1Cl

Description

6-Chloro-2,5-dimethylpyridazin-3(2H)-one features a chlorinated pyridazinone core with methyl substituents at positions 2 and 5, delivering enhanced electron-withdrawing character and steric shielding. This bench-stable scaffold integrates readily into medicinal chemistry libraries, enabling efficient access to bioactive heterocycles through nucleophilic displacement or cross-coupling reactions under standard conditions.

Application

6-Chloro-2,5-dimethylpyridazin-3(2H)-one serves as a versatile heterocyclic building block in medicinal chemistry, enabling efficient access to pyridazinone-based scaffolds. Its chlorine atom facilitates nucleophilic substitution under mild conditions, while the 2,5-dimethyl substitution pattern enhances metabolic stability and modulates physicochemical properties. The compound exhibits excellent bench stability and compatibility with common coupling reactions, facilitating rapid diversification for drug discovery campaigns.

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 34.89
LogP 0.74212
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyridazine compounds

Key Words

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6-Chloro-2,5-dimethylpyridazin-3(2H)-one

CAS No. 1114563-59-5

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