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

1,2-Benzisothiazol-3(2H)-one Chemical Properties
Melting point 154-158 °C(lit.)
Boiling point 360°C (rough estimate)
density 1.2170 (rough estimate)
vapor pressure 0Pa at 25℃
refractive index 1.5500 (estimate)
storage temp. Keep in dark place,Sealed in dry,Room Temperature
solubility Soluble in dichloromethane, dimethyl sulfoxide, methanol.
pka10.19±0.20(Predicted)
form neat
color White to Light yellow to Light orange
Water Solubility 1.288g/L at 20℃
InChIKeyDMSMPAJRVJJAGA-UHFFFAOYSA-N
LogP0.7 at 20℃
CAS DataBase Reference2634-33-5
EPA Substance Registry System1,2-Benzisothiazolin-3-one (2634-33-5)
Safety Information
Hazard Codes Xn,N
Risk Statements 22-38-41-43-50
Safety Statements 24-26-37/39-61
RIDADR UN 3077 9/PG 3
WGK Germany 2
RTECS DE4620000
HazardClass 9
HazardClass IRRITANT
PackingGroup 
HS Code 29339900
Hazardous Substances Data2634-33-5(Hazardous Substances Data)
ToxicityLD50 oral in rat: 1020mg/kg
MSDS Information
ProviderLanguage
Benzisothiazolin-3-one English
SigmaAldrich English
1,2-Benzisothiazol-3(2H)-one Usage And Synthesis
DescriptionBIT is an irritant and also a skin sensitizer. Occupational allergie contact dermatitis has been reported mainly related to the use of cutting oils and greases in paint manufacturers, pottery mouldmakers, acrylic emulsion manufacturers, plumbers, printers and lithoprinters, paper makers, an analyticallaboratory, a rubber factory, and in employees manufacturing air fresheners.
Chemical PropertiesYellow Powder
UsesAntimicrobial agent.
UsesIsothiazolinone BIT is widely used in industry as a preservative in water-based solutions, such as pastes, paints and cutting oils. It exists at different concentrations in the different Proxel AB, GXL, CRL, XL2, XL, HL, TN, and in Mergal K-10.
Application1,2-benzisothiazol-3(2H)-one (BIT) has been widely used in high concentrations for microbial growth control in many domestic and industrial processes, its potential eco-risk should be assessed.
Definition ChEBI: Benzo[d]isothiazol-3-one is an organic heterobicyclic compound based on a fused 1,2-thiazole and benzene bicyclic ring skeleton, with the S atom positioned adjacent to one of the positions of ring fusion. It has a role as a disinfectant, a platelet aggregation inhibitor, an environmental contaminant, a xenobiotic, a drug allergen and a sensitiser. It is an organonitrogen heterocyclic compound and an organic heterobicyclic compound.
General Description1,2-Benzisothiazol-3(2H)-one is a commonly used biocide in industrial and consumer products, which possesses antimicrobial activity against gram positive and gram negative bacteria. It is mainly used in packaging, adhesives, detergents, disinfectants, sunscreen lotions, paints and lubricants.
Flammability and ExplosibilityNotclassified
Contact allergensBIT, both an irritant and a skin sensitizer, is widely used in industry as a preservative in water-based solutions such as pastes, paints, and cutting oils. Occupational dermatitis has been reported mainly due to cutting fluids and greases, in paint manufacturers, pottery moldmakers, acrylic emulsions manufacturers, plumber,printers and lithoprinters, paper makers, analytical laboratory, rubber factory, and employees manufacturing air fresheners. It is also a preservative in vinyl gloves.
Safety ProfileModerately toxic by ingestion.When heated to decomposition it emits toxic vapors ofNOx and SOx.
Toxicity evaluationIsothiazolinones, such as 1,2-benzisothiazol-3(2H)-one (BIT), are widely used as biocides for bacterial growth control in many domestic and industrial processes. Despite their advantages as biocides, they are highly toxic and pose a potential risk to the environment.  BIT could seriously inhibit the growth of Scenedesmus sp. LX1, Chlorella sp. HQ, and Chlamydomonas reinhardtii with half maximal effective concentrations at 72 h (72h-EC50) of 1.70, 0.41, and 1.16 mg/L, respectively. The primary inhibition mechanism was the BIT-induced damage to microalgal photosynthetic systems.
1,2-Benzisothiazol-3(2H)-one Preparation Products And Raw materials
Preparation Products3-Chloro-1,2-benzisothiazole-->3-(1-Piperazinyl)-1,2-benzisothiazole-->2-(benzo[d]isothiazol-3-ylaMino)ethanol-->3-(3-Oxo-1,2-benzisothiazol-2(3H)-yl)propanoic acid
1,1-DIOXO-2-(2-OXO-PROPYL)-1,2-DIHYDRO-1LAMBDA*6*-BENZO[D]ISOTHIAZOL-3-ONE 1,2-Benzisothiazol-3(2H)-one Benzothiazole 1,2-benzisothiazolin-3-one,1,1-dioxid AKOS 228-40 RARECHEM AM UH 007B AKOS 228-35 2-Mercaptobenzothiazole 6-Nitro-1,2-benzisothiazolin-3-one 1,1-dioxide ETHYLENEDIAMINE TETRAKIS(PROPOXYLATE-BLOCK-ETHOXYLATE) TETROL 4-(Diethylamino)salicylaldehyde N-METHYLSACCHARIN N-(2-NITROPHENYLTHIO)SACCHARIN, 95% 4-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)butanenitrile Methylchloroisothiazolinone/methylisothiazolinone mixture (MCIT/MIT) 5-Chlorovaleric acid CALCIUM SACCHARIN HYDRATE N-HYDROXYMETHYLSACCHARIN

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