Description

5-Chloro-2-methylbenzothiazole (CAS No. 1006-99-1) is a high-purity heterocyclic organic compound with the molecular formula C₈H₆ClNS. This benzothiazole derivative features a chloro substituent at the 5-position and a methyl group at the 2-position, offering unique reactivity for synthetic applications. With a molecular weight of 183.66 g/mol, it is a versatile intermediate in pharmaceutical, agrochemical, and material science research. Our product is rigorously tested to ensure ≥98% purity (HPLC/GC) and is supplied as a crystalline solid with excellent batch-to-batch consistency. Ideal for nucleophilic substitution reactions, metal-catalyzed couplings, and as a building block for fluorescent dyes or corrosion inhibitors. Available in research (1g-100g) and bulk quantities (1kg+) with optional custom purity grades.

Properties

• CAS Number: 1006-99-1
• Complexity: 153
• IUPAC Name: 5-chloro-2-methyl-1,3-benzothiazole
• InChI: InChI=1S/C8H6ClNS/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3
• InChI Key: XCALAYIRFYALSX-UHFFFAOYSA-N
• Exact Mass: 182.9909481
• Molecular Formula: C8H6ClNS
• Molecular Weight: 183.66
• SMILES: CC1=NC2=C(S1)C=CC(=C2)Cl
• Topological: 41.1
• Monoisotopic Mass: 182.9909481
• Synonyms: 5-Chloro-2-methylbenzothiazole, 1006-99-1, BENZOTHIAZOLE, 5-CHLORO-2-METHYL-, NSC 8453, EINECS 213-746-9, BRN 0120802, DTXSID0061402, 4-27-00-01086 (Beilstein Handbook Reference), DTXCID2032550, 213-746-9, inchi=1/c8h6clns/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4h,1h, xcalayirfyalsx-uhfffaoysa-n, 5-chloro-2-methylbenzo[d]thiazole, 5-Chloro-2-methyl-1,3-benzothiazole, 2-methyl-5-chlorobenzothiazole, USAF EK-P-4382, 5-Chloro-2-methyl-benzothiazole, MFCD00022881, 2-Methyl-5-chloro-benzothiazole, 2-methyl-5-chloro benzothiazole, NSC8453, Cambridge id 5107825, SCHEMBL1049510, WLN: T56 BN DSJ C1 HG, NSC-8453, SBB059461, STK396249, 5-Chloro-2-methylbenzothiazole, 97%, AKOS000121462, 5-Chloro-2-methyl-1,3-benzothiazole #, AC-15246, AS-12866, BP-12408, SY036182, DB-029121, CS-0037554, NS00022995, ST50909179, EN300-21184, AE-848/30689013, F9995-1151, Z104493618

Application

5-Chloro-2-methylbenzothiazole serves as a key precursor in the synthesis of bioactive molecules, particularly antimicrobial and antitumor agents. Researchers utilize it to develop benzothiazole-based fluorescent probes for cellular imaging due to its photostability. In material science, it acts as a corrosion inhibitor in metal surface treatments and as a monomer for conductive polymers. The compound’s reactivity at the 2-methyl and 5-chloro positions enables diverse functionalization for structure-activity relationship (SAR) studies.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): 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 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (100%)

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