Description

2-Fluoromethanesulfonyl-1,3-benzothiazole (CAS No. 189579-72-4) is a high-purity specialty chemical with the molecular formula C₈H₆FNO₂S₂. This compound, also known by its IUPAC name 2-(fluoromethylsulfonyl)-1,3-benzothiazole, is a benzothiazole derivative featuring a fluoromethylsulfonyl functional group. Its unique structure makes it a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and advanced materials. With a molecular weight of 231.26 g/mol, this compound is characterized by its high reactivity and selectivity, making it ideal for cross-coupling reactions and as a building block for heterocyclic compounds. Our product is rigorously tested to ensure ≥95% purity (HPLC) and is supplied in sealed containers under inert atmosphere to guarantee stability and longevity. Suitable for research and industrial applications, this chemical is handled with strict adherence to safety protocols.

Properties

• CAS Number: 189579-72-4
• Complexity: 301
• IUPAC Name: 2-(fluoromethylsulfonyl)-1,3-benzothiazole
• InChI: InChI=1S/C8H6FNO2S2/c9-5-14(11,12)8-10-6-3-1-2-4-7(6)13-8/h1-4H,5H2
• InChI Key: ZSXOGFRTHQNYEI-UHFFFAOYSA-N
• Exact Mass: 230.98239894
• Molecular Formula: C8H6FNO2S2
• Molecular Weight: 231.3
• SMILES: C1=CC=C2C(=C1)N=C(S2)S(=O)(=O)CF
• Topological: 83.7
• Monoisotopic Mass: 230.98239894
• Synonyms: 189579-72-4, 2-fluoromethanesulfonyl-1,3-benzothiazole, 891-228-7, 1,3-benzothiazol-2-yl fluoromethyl sulfone, 2-[(Fluoromethyl)sulfonyl]benzothiazole, Benzothiazole, 2-[(fluoromethyl)sulfonyl]-, SCHEMBL28000437, G83918, EN300-23541993

Application

2-Fluoromethanesulfonyl-1,3-benzothiazole is primarily used as a versatile intermediate in organic synthesis. Its fluoromethylsulfonyl group enhances reactivity in nucleophilic substitution reactions, making it valuable for constructing complex heterocycles. Researchers employ this compound in the development of novel pharmaceuticals, particularly in kinase inhibitor and antimicrobial agent synthesis. Additionally, it serves as a key precursor in agrochemical research for crop protection agents. Its stability under various conditions allows for flexible application in both academic and industrial settings.

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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