Description

5-Chloro-3H-1,3-benzothiazol-2-one (CAS No. 20600-44-6) is a high-purity heterocyclic organic compound with the molecular formula C₇H₄ClNOS. This benzothiazolone derivative features a chloro-substituted aromatic ring fused to a thiazole-2-one moiety, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. With a molecular weight of 185.63 g/mol, this off-white to pale yellow crystalline powder exhibits excellent stability under standard laboratory conditions. Its unique structure enables versatile reactivity, particularly in the formation of biologically active molecules. Packaged under inert gas to ensure longevity, our ≥98% pure product is rigorously tested via HPLC, NMR, and mass spectrometry to meet the stringent requirements of research and industrial applications. Available in quantities from grams to multi-kilogram scale, it is supplied with comprehensive analytical documentation including COA, MSDS, and spectral data.

Properties

• CAS Number: 20600-44-6
• Complexity: 187
• IUPAC Name: 5-chloro-3H-1,3-benzothiazol-2-one
• InChI: InChI=1S/C7H4ClNOS/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
• InChI Key: NOVHYVKPKWACML-UHFFFAOYSA-N
• Exact Mass: 184.9702126
• Molecular Formula: C7H4ClNOS
• Molecular Weight: 185.63
• SMILES: C1=CC2=C(C=C1Cl)NC(=O)S2
• Topological: 54.4
• Monoisotopic Mass: 184.9702126
• Synonyms: 2(3H)-Benzothiazolone, 5-chloro-, 5-Chloro-2(3H)-benzothiazolone, 5-Chloro-2-benzothiazolinone, 20600-44-6, 5-chlorobenzo[d]thiazol-2(3H)-one, 5-chloro-3H-1,3-benzothiazol-2-one, 5-Chloro-1,3-benzothiazol-2(3H)-one, CHEMBL2381489, 5-chloro-2,3-dihydro-1,3-benzothiazol-2-one, 5-CHLOROBENZOTHIAZOLONE, Chlorobenzothiazolinone; 95%, 2-Benzothiazolol, 5-chloro-, 5-Chloro-2-benzothiazolone, MFCD00060125, Chlorobenzothiazolinone, 2-oxo-5-chlorobenzothiazoline, SCHEMBL507970, SCHEMBL5134299, SCHEMBL9599363, SCHEMBL10626492, 5-chloro-3H-benzothiazol-2-one, DTXSID50345337, 5-chloro-1,3-benzothiazol-2-ol, STR05612, BDBM50434116, AKOS006230208, CS-W016931, HY-W016215, PS-3378, 5-Chloro-2-benzothiazolinone, AldrichCPR, 5-Chloro-1,3-benzothiazol-2(3H)-one #, DB-029110, F14913, EN300-6768771

Application

5-Chloro-3H-1,3-benzothiazol-2-one serves as a key building block in medicinal chemistry for developing antimicrobial and antitumor agents. Researchers utilize its reactive 2-one position for constructing fused heterocycles in drug discovery programs. The chloro substituent enables further functionalization via cross-coupling reactions, making it valuable for creating diversified compound libraries. In material science, it acts as a precursor for photoactive polymers and organic electronic materials.

Safety and Hazards

GHS Hazard Statements

• H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (50%)
• Acute Tox. 4 (50%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• Acute Tox. 4 (50%)
• 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.