1,2-Benzisothiazol-3(2H)-one CAS 2634-33-5
Introduction：Basic information about 1,2-Benzisothiazol-3(2H)-one CAS 2634-33-5, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
1,2-Benzisothiazol-3(2H)-one Basic information
| Product Name: | 1,2-Benzisothiazol-3(2H)-one |
| Synonyms: | Benzisothiazolin-3-on (BIT);Benzo[d]isothiazol-3(2H)-one;1,2-Benzisothiazolin-3-One(MIT);2$l^{4}-thia-6-azatricyclo[5.4.0.0^{2,6}]undeca-1(7),8,10-trien-5-one;1,2-benzo-isothiazolin-3-ketone;Acticide BIT;Apizas AP-DS;Bestcide 200K |
| CAS: | 2634-33-5 |
| MF: | C7H5NOS |
| MW: | 151.19 |
| EINECS: | 220-120-9 |
| Product Categories: | BA - BH;Beverage Standards;DIN and DL 152;European Community: ISO;Method Specific;Preservatives &A-B;Alpha Sort;Alphabetic;Analytical Standards;Analytical/Chromatography;Antioxidants;Building Blocks;C3 to C7;Chemical Synthesis;Chromatography;Environmental Standards;Food &Heterocyclic Building Blocks;Volatiles/ Semivolatiles;Preservative;Heterocyclic Building Blocks;Thiazoles;76/768/EEC;BA - BHChromatography;Preservatives&AntioxidantsBuilding Blocks;ThiazolesMethod Specific;A-BAlphabetic;Alpha Sort;B;European Community: ISO and DIN;Food&Beverage Standards;Sulphur Derivatives;Heterocycles;Hydantoins & Derivatives;Intermediates & Fine Chemicals;Pharmaceuticals;Building Blocks;Aromatics;Sulfur & Selenium Compounds;Industrial/Fine Chemicals;chemical;Volatiles/ Semivolatiles;2634-33-5 |
| Mol File: | 2634-33-5.mol |
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. |
| pka | 10.19±0.20(Predicted) |
| form | Solid |
| color | White to Light yellow to Light orange |
| biological source | rabbit |
| Water Solubility | 1.288g/L at 20℃ |
| Major Application | cleaning products cosmetics environmental food and beverages personal care |
| Cosmetics Ingredients Functions | ANTIMICROBIAL |
| InChI | 1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9) |
| InChIKey | DMSMPAJRVJJAGA-UHFFFAOYSA-N |
| SMILES | Oc1nsc2ccccc12 |
| LogP | 0.7 at 20℃ |
| CAS DataBase Reference | 2634-33-5 |
| EPA Substance Registry System | 1,2-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 |
| TSCA | TSCA listed |
| HazardClass | 9 |
| HazardClass | IRRITANT |
| PackingGroup | Ⅲ |
| HS Code | 29339900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Aquatic Acute 1 Eye Dam. 1 Skin Irrit. 2 Skin Sens. 1 |
| Hazardous Substances Data | 2634-33-5(Hazardous Substances Data) |
| Toxicity | LD50 oral in rat: 1020mg/kg |
| Description | BIT (1,2-Benzisothiazol-3(2H)-one) is an irritant and alsoa skin sensitizer. Occupational allergie contact dermatitishas been reported mainly related to the use ofcutting oils and greases in paint manufacturers,pottery mouldmakers, acrylic emulsion manufacturers,plumbers, printers and lithoprinters, paper makers, ananalyticallaboratory, a rubber factory, and in employeesmanufacturing air fresheners. |
| Chemical Properties | Yellow Powder |
| Uses | Antimicrobial agent. |
| Uses | Isothiazolinone BIT is widely used in industry as apreservative in water-based solutions, such as pastes,paints and cutting oils. It exists at different concentrationsin the different Proxel AB, GXL, CRL, XL2, XL,HL, TN, and in Mergal K-10. |
| 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. |
| Application | 1,2-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. |
| General Description | 1,2-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 Explosibility | Not classified |
| Contact allergens | 1,2-Benzisothiazol-3(2H)-one, both an irritant and a skin sensitizer, is widely usedin industry as a preservative in water-based solutionssuch as pastes, paints, and cutting oils. Occupationaldermatitis has been reported mainly due to cutting fluidsand greases, in paint manufacturers, pottery moldmakers,acrylic emulsions manufacturers, plumber,printers and lithoprinters, paper makers, analytical laboratory,rubber factory, and employees manufacturing airfresheners. It is also a preservative in vinyl gloves. |
| Safety Profile | Moderately toxic by ingestion.When heated to decomposition it emits toxic vapors ofNOx and SOx. |
| Toxicity evaluation | Isothiazolinones, 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. |
| Toxics Screening Level | The Initial Threshold Screening Level (ITSL) for 1,2-benzisothiazol-3(2H)-one of 0.1 μg/m3 with annual averaging time is being rescinded. |
1,2-Benzisothiazol-3(2H)-one Preparation Products And Raw materials
| Preparation Products | 3-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 |
