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Merck
CN

75169

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

analytical standard

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About This Item

Empirical Formula (Hill Notation):
C7H5NOS
CAS Number:
Molecular Weight:
151.19
NACRES:
NA.24
PubChem Substance ID:
UNSPSC Code:
41116107
EC Number:
220-120-9
MDL number:
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Product Name

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

InChI key

DMSMPAJRVJJAGA-UHFFFAOYSA-N

InChI

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

SMILES string

Oc1nsc2ccccc12

grade

analytical standard

assay

≥98.0% (HPLC)

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

impurities

≤15% water

mp

152-157 °C
154-158 °C (lit.)

application(s)

cleaning products
cosmetics
environmental
food and beverages
personal care

format

neat

Quality Level

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Application

The analytical standards can also be used as follows:

  • Determination of benzisothiazolinone in five soil samples by liquid chromatography-tandem mass spectrometry (LC-MS/MS) in positive electrospray ionization mode

General description

1,2-Benzisothiazol-3(2H)-one belongs to the chemical class of isothiazolinones.

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.

Other Notes

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

signalword

Danger

Hazard Classifications

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

Storage Class

11 - Combustible Solids

wgk

WGK 2

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Regulatory Information

农药列管产品
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Synthesis and anti-bacterial activity of a library of 1, 2-benzisothiazol-3 (2H)-one (BIT) derivatives amenable of crosslinking to polysaccharides
Viani F, et al.
Tetrahedron, 73(13), 1745-1761 (2017)
P Vicini et al.
Arzneimittel-Forschung, 49(11), 896-899 (1999-12-22)
The in vitro and ex vivo antiplatelet effects of 2-amino-1,2-benzisothiazolin-3-one (1) are compared with those of its parent compound 1,2-benzisothiazolin-3-one (2) and with acetylsalicylic acid (ASA) against different agonists. 2-Amino-1,2-benzisothiazolin-3-one inhibits adenosine diphosphate (ADP)-, arachidonic acid (AA)- and collagen-induced human
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
Systemic allergic dermatitis following airborne exposure to 1,2-benzisothiazolin-3-one.
Diljit Kaur-Knudsen et al.
Contact dermatitis, 67(5), 310-312 (2012-10-09)
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

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