5-Chloro-2-methyl-1,3-benzothiazole

Name: 5-Chloro-2-methyl-1,3-benzothiazole
Brand: ChemScene
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CAS No. 1006-99-1
Cat. No. CS-0037554
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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5-Chloro-2-methyl-1,3-benzothiazole|CS-0037554

Structure of 1006-99-1

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Description

5-Chloro-2-methyl-1,3-benzothiazole features a chlorinated benzothiazole core with a methyl group at the 2-position, delivering enhanced electron-withdrawing character and improved solubility in organic media. This scaffold serves as a key building block for bioactive heterocycles, particularly in medicinal chemistry and agrochemical development.

Application

5-Chloro-2-methyl-1,3-benzothiazole serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted benzothiazole scaffolds via palladium-catalyzed cross-coupling reactions. Its chloro and methyl groups provide orthogonal functionalization sites, offering predictable reactivity in nucleophilic substitution and C–H activation processes. Bench-stable and readily purified by recrystallization, it facilitates scalable synthesis of pharmaceutically relevant motifs.

General Information

CAS No. 1006-99-1
Cat. No. CS-0037554
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆ClNS
Molecular Weight 183.66
Synonym(s) benzothiazole, 5-chloro-2-methyl-
SMILES CC1=NC2=C(C=CC(=C2)Cl)S1

Computational Chemistry Data

TPSA 12.89
LogP 3.25812
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 Benzothiazole compounds

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5-Chloro-2-methyl-1,3-benzothiazole

CAS No. 1006-99-1

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