2-Chloro-4-methoxy-benzothiazole

Name: 2-Chloro-4-methoxy-benzothiazole
Brand: ChemScene
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CAS No. 3507-27-5
Cat. No. CS-0005608
Purity≥97%
MDL No.MFCD04448819

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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2-Chloro-4-methoxy-benzothiazole|CS-0005608

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General Information

CAS No. 3507-27-5
Cat. No. CS-0005608
Purity ≥97%
MDL No. MFCD04448819
Storage -20°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆ClNOS
Molecular Weight 199.66
Synonym(s) Benzothiazole, 2-chloro-4-methoxy- (6CI,7CI,8CI,9CI)
SMILES COC1=C2N=C(Cl)SC2=CC=C1

Description

2-Chloro-4-methoxy-benzothiazole features a chlorinated benzothiazole core with a methoxy group at the para position, delivering enhanced electron-withdrawing character and improved solubility in organic solvents. This scaffold serves as a key building block for pharmaceutical intermediates and functional materials, offering high stability under standard reaction conditions and compatibility with palladium-catalyzed cross-coupling processes.

Application

2-Chloro-4-methoxy-benzothiazole serves as a versatile building block in heterocyclic synthesis, enabling palladium-catalyzed cross-coupling reactions due to its reactive chloro substituent. The methoxy group enhances solubility and modulates electronic properties, while the benzothiazole core provides stability and compatibility with diverse functional groups. Its bench-stable nature and predictable reactivity make it ideal for constructing complex scaffolds in medicinal chemistry and materials science applications.

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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Computational Chemistry Data

TPSA 22.12
LogP 2.9583
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Benzothiazole compounds

Key Words

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2-Chloro-4-methoxy-benzothiazole

CAS No. 3507-27-5

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