6-Bromobenzo[d]isothiazole

Name: 6-Bromobenzo[d]isothiazole
Brand: ChemScene
Availability: InStock
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CAS No. 877265-23-1
Cat. No. CS-0199252
Purity≥97%
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 877265-23-1

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General Information

CAS No. 877265-23-1
Cat. No. CS-0199252
Purity ≥97%
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) 6-BROMO-1,2-BENZOTHIAZOLE
SMILES C1=CC(=CC2=C1C=NS2)Br

Description

6-Bromobenzo[d]isothiazole features a bromine-substituted benzoisothiazole core, delivering a reactive handle for cross-coupling and functionalization. This electron-deficient heterocycle integrates readily into complex scaffolds, offering enhanced stability and compatibility in synthetic transformations.

Application

6-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 common reaction protocols and compatibility with diverse functional groups make it well-suited for modular library synthesis and late-stage derivatization in medicinal chemistry workflows.

Synthesis

Route1
- In-stock
  
  57848-46-1
- ~10%
- In-stock
  
  877265-23-1
References
- D'Sidocky, Neil R.; Harris, Roy L.; Hegde, Sayee G.; Hilgraf, Robert; McCarrick, Margaret A.; McKie, Jeffrey A.; Mortensen, Deborah S.; Nadolny, Lisa; Perin-Ninkovic, Sophie M.; Sapienza, John J.; Wright, Jonathan L. Patent: US2008/242694 A1, 2008 ; Location in patent: Page/Page column 52 ; US 20080242694 A1

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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6-Bromobenzo[d]isothiazole

CAS No. 877265-23-1

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