7-Bromobenzo[d]isothiazole

Name: 7-Bromobenzo[d]isothiazole
Brand: ChemScene
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CAS No. 139036-97-8
Cat. No. CS-0137429
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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General Information

CAS No. 139036-97-8
Cat. No. CS-0137429
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₄BrNS
Molecular Weight 214.08
Synonym(s) 7-Bromo-1,2-benzothiazole
SMILES BrC1=CC=CC2=C1SN=C2

Description

7-Bromobenzo[d]isothiazole features a bromine substituent at the 7-position of a fused benzo[d]isothiazole core, delivering enhanced reactivity in cross-coupling transformations. The electron-deficient heterocycle integrates readily into complex molecular architectures, enabling efficient access to functionalized aromatic systems under standard conditions.

Application

7-Bromobenzo[d]isothiazole serves as a versatile building block for the synthesis of biologically active heterocycles and pharmaceutical intermediates. The bromine substituent enables palladium-catalyzed cross-coupling reactions, facilitating efficient C–C bond formation under standard conditions. Its stability under ambient storage and compatibility with diverse functional groups make it well-suited for iterative synthetic sequences in medicinal chemistry and process development.

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-P330-P362+P364-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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7-Bromobenzo[d]isothiazole

CAS No. 139036-97-8

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