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561487

Sigma-Aldrich

1,2-Benzisothiazol-3(2H)-one

97%

Synonym(s):

1,2-Benzisothiazolone, 1,2-Benzoisothiazol-3-one, 1,2-benzothiazoline-3-one, 2,3-Dihydro-1,2-benzothiazol-3-one, 3-Hydroxy-1,2-benzisothiazole, Benzisothiazolin-3-one

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About This Item

Empirical Formula (Hill Notation):
C7H5NOS
CAS Number:
2634-33-5
Molecular Weight:
151.19
EC Number:
220-120-9
MDL number:
MFCD00127753
UNSPSC Code:
12352100
PubChem Substance ID:
24879952
NACRES:
NA.22
Pricing and availability is not currently available.

Quality Level

100

Assay

97%

form

solid

mp

154-158 °C (lit.)

SMILES string

Oc1nsc2ccccc12

InChI

1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)

InChI key

DMSMPAJRVJJAGA-UHFFFAOYSA-N

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General description

1,2-Benzisothiazol-3(2H)-one can be synthesized by reacting 2-mercaptobenzoic acid with diphenyl phosphoryl azide.[1]

Application

1,2-Benzisothiazol-3(2H)-one can be used as a precursor in the synthesis of 1,2-benzoisothiazolin-3-one (BIT) derivative which can exhibit enhanced biological activities. [2] [3]

Disclaimer

The product is not intended for use as a biocide under global biocide regulations, including but not limited to US EPA′s Federal Insecticide Fungicide and Rodenticide Act, European Biocidal Products Regulation, Canada’s Pest Management Regulatory Agency, Turkey’s Biocidal Products Regulation, Korea’s Consumer Chemical Products and Biocide Safety Management Act (K-BPR) and others.

Signal Word

Danger

Hazard Statements

H302,H315,H317,H318,H400

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Acute 1 - Eye Dam. 1 - Skin Irrit. 2 - Skin Sens. 1

Storage Class Code

11 - Combustible Solids

WGK

WGK 2

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
0000370051
0000341932
MKCX0480
0000370051
0000341932

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Convenient Synthesis of 1, 2-Benzisothiazol-3 (2H)-ones by Cyclization Reaction
of Acyl Azide
Chiyoda T, et al.
Synlett, 2000(10), 1427-1428 (2000)
Mahalakshmi Vasan et al.
ChemMedChem, 5(12), 2079-2087 (2010-11-06)
A simple steady-state kinetic high-throughput assay was developed for the salicylate synthase MbtI from Mycobacterium tuberculosis, which catalyzes the first committed step of mycobactin biosynthesis. The mycobactins are small-molecule iron chelators produced by M. tuberculosis, and their biosynthesis has been identified
Dengfeng Dou et al.
Bioorganic & medicinal chemistry, 19(19), 5782-5787 (2011-09-10)
A series of broad-spectrum antifungal agents based on the 1,2-benzisothiazol-3(2H)-one scaffold is reported. Preliminary structure-activity relationship studies have established the importance of the presence of the heterocyclic ring, a methyl group, and a phenyl ring for optimal manifestation of antifungal
G Moscato et al.
Occupational medicine (Oxford, England), 47(4), 249-251 (1997-05-01)
We report a case of occupational asthma and rhinitis caused by inhalation of 1,2-benzisothiazolin-3-one, an additive used as a microbicidal in detergent production, in a 26-year-old man employed in a chemical factory producing detergents. The subject's task consisted of pouring
K L Yu et al.
Bioorganic & medicinal chemistry letters, 9(5), 663-666 (1999-04-14)
An efficient solid-phase synthesis of benzisothiazolone-1,1-dioxide-based serine protease inhibitors involving alkylation of carboxylic acids with N-(bromomethyl)benzisothiazolone-1,1-dioxide has been developed. An example using this procedure for preparation of a library of human mast cell tryptase inhibitors is described.
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Questions

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  1. How can I determine the shelf life / expiration / retest date of this product?

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    1. If this product has an expiration or retest date, it will be shown on the Certificate of Analysis (COA, CofA). If there is no retest or expiration date listed on the product's COA, we do not have suitable stability data to determine a shelf life. For these products, the only date on the COA will be the release date; a retest, expiration, or use-by-date will not be displayed.
      For all products, we recommend handling per defined conditions as printed in our product literature and website product descriptions. We recommend that products should be routinely inspected by customers to ensure they perform as expected.
      For products without retest or expiration dates, our standard warranty of 1 year from the date of shipment is applicable.
      For more information, please refer to the Product Dating Information document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/449/386/product-dating-information-mk.pdf

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  2. How is shipping temperature determined? And how is it related to the product storage temperature?

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    1. Products may be shipped at a different temperature than the recommended long-term storage temperature. If the product quality is sensitive to short-term exposure to conditions other than the recommended long-term storage, it will be shipped on wet or dry-ice. If the product quality is NOT affected by short-term exposure to conditions other than the recommended long-term storage, it will be shipped at ambient temperature. As shipping routes are configured for minimum transit times, shipping at ambient temperature helps control shipping costs for our customers. For more information, please refer to the Storage and Transport Conditions document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/316/622/storage-transport-conditions-mk.pdf

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  3. What is the expiry date for this product?

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    1. This product is not assigned an expiration date or recommended retest date. Products with no expiration date or recommended retest date should be routinely inspected by customers to ensure they perform as expected. These products are also subject to a one year warranty from the date of shipment. For more information you may access the "Product Dating Information" document under "ADDITIONAL USEFUL DOCUMENTS ABOUT OUR PRODUCTS" at the bottom of the Quality Services page with this link: https://www.sigmaaldrich.com/life-science/quality-and-regulatory-management/quality-services.

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