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Supelco

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

analytical standard

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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:
41116107
PubChem Substance ID:
329766230
NACRES:
NA.24

grade

analytical standard

Quality Level

100

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

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 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.

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

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Other Notes

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

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
BCCL3133
BCCK3670
BCCJ9512
BCCH2554
BCCF1885

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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)
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
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
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
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