2-Chloro-6-(trifluoromethoxy)benzo[d]thiazole

Name: 2-Chloro-6-(trifluoromethoxy)benzo[d]thiazole
Brand: ChemScene
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CAS No. 133840-96-7
Cat. No. CS-W021664
Purity≥97%
MDL No.MFCD09743918

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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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2-Chloro-6-(trifluoromethoxy)benzo[d]thiazole|CS-W021664

Structure of 133840-96-7

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Description

2-Chloro-6-(trifluoromethoxy)benzo[d]thiazole is a fluorinated heterocyclic scaffold featuring a chlorine at the 2-position and a trifluoromethoxy group at the 6-position, enhancing electron deficiency and metabolic stability. This configuration supports direct coupling in cross-coupling reactions and facilitates incorporation into pharmaceutical intermediates requiring halogen-directed functionalization.

Application

2-Chloro-6-(trifluoromethoxy)benzo[d]thiazole serves as a versatile building block in medicinal chemistry, enabling efficient construction of biologically relevant heterocyclic scaffolds. Its trifluoromethoxy group enhances metabolic stability and lipophilicity, while the chloro substituent facilitates palladium-catalyzed cross-coupling reactions. The benzo[d]thiazole core provides a rigid, electron-deficient platform suitable for targeted protein binding. This compound exhibits excellent bench stability and compatibility with standard purification protocols, making it well-suited for high-throughput synthesis and lead optimization campaigns.

General Information

CAS No. 133840-96-7
Cat. No. CS-W021664
Purity ≥97%
MDL No. MFCD09743918
Storage -20°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₃ClF₃NOS
Molecular Weight 253.63
Synonym(s) 2-chloro-6-trifluoromethoxylbenzothiazole
SMILES FC(F)(F)OC1=CC=C2N=C(Cl)SC2=C1

Computational Chemistry Data

TPSA 22.12
LogP 3.8483
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

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 Functional Group Chloride

Building Blocks Skeleton Aromatic heterocycle compounds Benzothiazole compounds

Key Words

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2-Chloro-6-(trifluoromethoxy)benzo[d]thiazole

CAS No. 133840-96-7

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