4-Bromo-1,2-benzisothiazole

Name: 4-Bromo-1,2-benzisothiazole
Brand: ChemScene
Availability: InStock
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CAS No. 1326714-98-0
Cat. No. CS-0646574
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 1326714-98-0

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Description

4-Bromo-1,2-benzisothiazole is a halogenated heterocycle featuring a bromine substituent at the 4-position, enhancing its reactivity in cross-coupling transformations. The fused benzene and isothiazole rings confer rigidity and electron-deficient character, enabling selective functionalization in synthetic pathways. This compound serves as a key building block for bioactive molecules and advanced materials.

Application

4-Bromo-1,2-benzisothiazole serves as a versatile building block in medicinal chemistry and materials science, enabling direct incorporation of bromine for subsequent cross-coupling reactions. Its fused heterocyclic structure provides enhanced stability and predictable reactivity in palladium-catalyzed transformations. The molecule functions as a robust scaffold for diversification via Suzuki-Miyaura, Negishi, or Stille coupling, offering efficient access to complex aromatic systems with retained functional group tolerance.

General Information

CAS No. 1326714-98-0
Cat. No. CS-0646574
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) None
SMILES BrC1=CC=CC2=C1C=NS2

Computational Chemistry Data

TPSA 12.89
LogP 3.0588
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 Benzoisothiazole compounds

Key Words

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4-Bromo-1,2-benzisothiazole

CAS No. 1326714-98-0

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