Atomfair Benzothiazole-2-sulfonic acid C7H5NO3S2 CAS 941-57-1

Description

Benzothiazole-2-sulfonic acid (CAS No. 941-57-1) is a high-purity sulfonic acid derivative of benzothiazole, with the molecular formula C₇H₅NO₃S₂. This compound is widely utilized in organic synthesis, corrosion inhibition, and as a key intermediate in the production of specialty chemicals. Its IUPAC name, 1,3-benzothiazole-2-sulfonic acid, reflects its structural configuration, featuring a benzothiazole core functionalized with a sulfonic acid group at the 2-position. Our product is rigorously tested for purity and consistency, ensuring optimal performance in research and industrial applications. Available in various quantities, it is supplied with detailed technical documentation, including NMR, HPLC, and MSDS data.

Properties

• CAS Number: 941-57-1
• Complexity: 285
• IUPAC Name: 1,3-benzothiazole-2-sulfonic acid
• InChI: InChI=1S/C7H5NO3S2/c9-13(10,11)7-8-5-3-1-2-4-6(5)12-7/h1-4H,(H,9,10,11)
• InChI Key: ZCXGMSGCBDSEOY-UHFFFAOYSA-N
• Exact Mass: 214.97108537
• Molecular Formula: C7H5NO3S2
• Molecular Weight: 215.3
• SMILES: C1=CC=C2C(=C1)N=C(S2)S(=O)(=O)O
• Topological: 104
• Monoisotopic Mass: 214.97108537
• Synonyms: 941-57-1, Benzothiazole-2-sulfonic acid, benzo[d]thiazole-2-sulfonic acid, 2-Benzothiazolsulfonic acid, DTXSID80240528, benzo(d)thiazole-2-sulfonic acid, DTXCID10163019, 825-261-5, 1,3-Benzothiazole-2-sulfonic acid, 2-Benzothiazolesulfonicacid(6Ci,7Ci,8Ci,9Ci), 2-Benzothiazolesulfonic acid, starbld0003839, benzthiazoline sulfonic acid, SCHEMBL329577, SCHEMBL329578, CHEMBL4787785, CHEBI:190965, 1,3-benzothiazole-2-sulonic acid, AAA94157, AKOS000313321, DB-229870, NS00010634, F77242, EN300-2009290, Q63396458, Z57069969, 1,3-Benzothiazole-2-sulfonic Acid; 2-Benzothiazolesulfonic acid; 1-Benzothiazolesulfonic acid (3CI); 1,3-Benzothiazole-2-sulfonic acid

Application

Benzothiazole-2-sulfonic acid is primarily employed as a corrosion inhibitor in industrial cooling systems and metal treatment processes. It also serves as a versatile intermediate in the synthesis of dyes, pharmaceuticals, and agrochemicals. Researchers utilize this compound in the development of novel heterocyclic compounds due to its reactive sulfonic acid group. Additionally, it finds applications in electrochemical studies and as a catalyst in certain organic transformations.

Safety and Hazards

GHS Hazard Statements

• H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]
• H317 (33.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]
• H318 (66.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H400 (33.3%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
• H410 (33.3%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P391, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (66.7%)
• Skin Irrit. 2 (66.7%)
• Skin Sens. 1 (33.3%)
• Eye Dam. 1 (66.7%)
• STOT SE 3 (66.7%)
• Aquatic Acute 1 (33.3%)
• Aquatic Chronic 1 (33.3%)

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