3,5-Dichlorobenzo[d]isoxazole

Name: 3,5-Dichlorobenzo[d]isoxazole
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CAS No. 16263-53-9
Cat. No. CS-0155751
Molecule weight188.01
Purity≥95%
MDL No.MFCD12756777

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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+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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3,5-Dichlorobenzo[d]isoxazole|CS-0155751

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General Information

CAS No. 16263-53-9
Cat. No. CS-0155751
Purity ≥95%
MDL No. MFCD12756777
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₃Cl₂NO
Molecular Weight 188.01
Synonym(s) 3,5-dichloro-1,2-benzoxazole
SMILES C1=CC2=C(C=C1Cl)C(=NO2)Cl

Description

3,5-Dichlorobenzo[d]isoxazole is a bench-stable heterocyclic scaffold featuring two chlorine substituents at the 3- and 5-positions of the benzo ring. This electron-deficient isoxazole integrates readily into synthetic routes requiring halogenated aromatic platforms. The molecule's stability under standard conditions enables straightforward handling and incorporation into diverse molecular architectures.

Application

3,5-Dichlorobenzo[d]isoxazole serves as a versatile heterocyclic building block in medicinal chemistry, enabling the construction of bioactive scaffolds through electrophilic substitution and transition-metal-catalyzed coupling reactions. Its chlorine substituents provide orthogonal reactivity for late-stage functionalization, while the isoxazole core offers metabolic stability and favorable pharmacophore properties. The compound exhibits excellent bench stability and ease of purification, facilitating integration into multi-step synthetic sequences for API 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 26.03
LogP 3.1346
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Benzoisoxazole compounds

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3,5-Dichlorobenzo[d]isoxazole

CAS No. 16263-53-9

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