3,6-Dichlorobenzo[d]isoxazole

Name: 3,6-Dichlorobenzo[d]isoxazole
Brand: ChemScene
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CAS No. 16263-54-0
Cat. No. CS-W021823
Purity≥95%
MDL No.MFCD06659626

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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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3,6-Dichlorobenzo[d]isoxazole|CS-W021823

Structure of 16263-54-0

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Description

3,6-Dichlorobenzo[d]isoxazole is a stable, electron-deficient heterocycle featuring two chlorine substituents at the 3 and 6 positions. This configuration enhances its reactivity in cross-coupling processes and provides robustness under standard bench conditions. The molecule integrates readily into complex scaffolds due to its defined electronic profile and favorable handling characteristics.

Application

3,6-Dichlorobenzo[d]isoxazole serves as a versatile heterocyclic building block in medicinal chemistry, enabling the construction of bioactive scaffolds through palladium-catalyzed cross-coupling reactions. Its dichloro substitution pattern offers orthogonal reactivity for sequential functionalization, while the isoxazole core provides metabolic stability and favorable pharmacophore geometry. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis workflows in API development.

General Information

CAS No. 16263-54-0
Cat. No. CS-W021823
Purity ≥95%
MDL No. MFCD06659626
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₃Cl₂NO
Molecular Weight 188.01
Synonym(s) 3,6-DICHLORO-1,2-BENZISOXAZOLE
SMILES ClC1=NOC2=C1C=CC(Cl)=C2

Computational Chemistry Data

TPSA 26.03
LogP 3.1346
H_Acceptors 2
H_Donors 0
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 Benzoisoxazole compounds

Key Words

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3,6-Dichlorobenzo[d]isoxazole

CAS No. 16263-54-0

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