5-Bromobenzo[d]isothiazole

Name: 5-Bromobenzo[d]isothiazole
Brand: ChemScene
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CAS No. 139037-01-7
Cat. No. CS-0157643
Purity≥98%
MDL No.None

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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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Structure of 139037-01-7

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General Information

CAS No. 139037-01-7
Cat. No. CS-0157643
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₄BrNS
Molecular Weight 214.08
Synonym(s) 5-Bromo-benzo[d]isothiazole
SMILES C1=C(C=C2C=NSC2=C1)Br

Description

5-Bromobenzo[d]isothiazole features a bromine substituent at the 5-position of a fused benzo[d]isothiazole core, delivering enhanced reactivity for cross-coupling and functionalization. This electron-deficient heterocycle integrates readily into pharmaceutical intermediates and materials precursors, offering improved stability and selectivity under standard conditions.

Application

5-Bromobenzo[d]isothiazole serves as a versatile building block for constructing biologically relevant heterocyclic scaffolds. The bromine substituent enables palladium-catalyzed cross-coupling reactions, facilitating the assembly of complex aryl architectures. Its stability under standard reaction conditions and compatibility with common functional groups make it a practical choice for medicinal chemistry and process development workflows.

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-P330-P362-P405-P501

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Computational Chemistry Data

TPSA 12.89
LogP 3.0588
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Benzoisothiazole compounds

Key Words

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5-Bromobenzo[d]isothiazole

CAS No. 139037-01-7

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