Description

5-Bromo-2-methylbenzothiazole (CAS No. 63837-11-6) is a high-purity heterocyclic organic compound with the molecular formula C₈H₆BrNS. This benzothiazole derivative features a bromine substituent at the 5-position and a methyl group at the 2-position, making it a versatile intermediate for pharmaceutical, agrochemical, and materials science research. Its IUPAC name is 5-bromo-2-methyl-1,3-benzothiazole, and it is characterized by a pale yellow to white crystalline appearance.

Our product is synthesized under stringent quality control measures, ensuring ≥98% purity (HPLC/GC). It is supplied in sealed packaging under inert conditions to prevent degradation. Ideal for Suzuki couplings, cross-coupling reactions, and as a scaffold for bioactive molecule development, this compound is a valuable tool for medicinal chemists and material scientists. Storage recommendations: Keep tightly closed in a cool, dry place (2-8°C).

Synonyms include: 5-Bromo-2-methyl-1,3-benzothiazole, EINECS 264-510-7.

Properties

• CAS Number: 63837-11-6
• Complexity: 153
• IUPAC Name: 5-bromo-2-methyl-1,3-benzothiazole
• InChI: InChI=1S/C8H6BrNS/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3
• InChI Key: OLQKNZNXLBILDD-UHFFFAOYSA-N
• Exact Mass: 226.94043
• Molecular Formula: C8H6BrNS
• Molecular Weight: 228.11
• SMILES: CC1=NC2=C(S1)C=CC(=C2)Br
• Topological: 41.1
• Monoisotopic Mass: 226.94043
• Synonyms: 5-Bromo-2-methylbenzothiazole, 63837-11-6, EINECS 264-510-7, 264-510-7, 5-bromo-2-methyl-1,3-benzothiazole, 2-Methyl-5-bromobenzothiazole, Benzothiazole, 5-bromo-2-methyl-, 5-bromo-2-methyl-benzothiazole, 5-BROMO-2-METHYBENZOTHIAZOLE, 5-Bromo-2-methyl benzothiazole, MFCD00603096, SCHEMBL202298, DTXSID70980481, GEO-00493, SBB054572, 5-Bromo-2-methylbenzothiazole, 95%, AKOS005254385, MFCD006030906, CS-W005065, FS-2391, SB38075, BP-10746, SY030916, DB-021354, B1798, NS00052970, ST50949822, EN300-6495455

Application

5-Bromo-2-methylbenzothiazole serves as a key building block in the synthesis of benzothiazole-based pharmaceuticals, particularly for antiviral and anticancer agents. Researchers utilize this compound in palladium-catalyzed cross-coupling reactions to create complex heterocyclic systems. It also finds application in the development of fluorescent dyes and OLED materials due to its electron-rich benzothiazole core. In agrochemical research, it acts as a precursor for fungicides and herbicides.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Skin Irrit. 2 (50%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (50%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.