1,2-benzothiazol-3-one
C7H5NOS
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Identification
- CAS Number
- 2634-33-5
- EC Number
- 220-120-9
- UN Number
- 3077
- Index Number
- 613-088-00-6
- PubChem CID
- 17520
Physical-chemical properties
- Molecular Formula
- C7H5NOS
- Molar Mass
- 151.19 g/mol
- IUPAC Name
- 1,2-benzothiazol-3-one
Chemical Identifiers
- InChI
- 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
Overview
1,2-benzothiazol-3-one (CAS 2634-33-5) is a heterocyclic organic compound with antimicrobial and preservative properties widely used in industrial applications. This benzothiazole derivative, also identified by EC number 220-120-9, represents an important class of sulfur and nitrogen-containing heterocycles with significant commercial relevance. With a molecular formula of C7H5NOS and molecular weight of 151.19 g/mol, 1,2-benzothiazol-3-one exhibits distinctive chemical properties that make it valuable across multiple industrial sectors. The compound belongs to the benzothiazole family, which shares structural similarities with other industrial chemicals like 2-(trichloromethylsulfanyl)isoindole-1,3-dione, though each serves distinct application profiles. Safety considerations are paramount when handling this substance, as it carries significant hazard classifications including acute toxicity (Category 2 and 4), skin irritation (Category 2), serious eye damage (Category 1), and strong skin sensitization potential (Category 1A). The compound also presents environmental concerns with acute aquatic toxicity (Category 1), requiring proper containment and disposal protocols. These hazards are clearly indicated by GHS pictograms GHS06 (skull and crossbones), GHS05 (corrosion), and GHS09 (environment), with "Danger" as the signal word. Transportation falls under ADR Class 9 (miscellaneous dangerous substances). Primary industrial applications include use as a biocide in metalworking fluids, preservation of water-based systems, and as an antimicrobial agent in various formulations. The compound's efficacy against bacteria and fungi makes it particularly valuable in industrial preservation applications where microbial control is essential. OYSI maintains reliable supply capabilities for 1,2-benzothiazol-3-one, supporting European customers with technical-grade material meeting industry specifications for professional industrial applications.
Safety & Classification
Acute Tox. 2; Acute Tox. 4; Skin Irrit. 2; Eye Dam. 1; Skin Sens. 1A; Aquatic Acute 1; Aquatic Ch...
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).
First Aid Measures
Inhalation
Measures if vapours or dust are inhaled
First Aid Actions
- +P304IF INHALED:
- +P340Remove person to fresh air and keep comfortable for breathing.
- +P311Call a POISON CENTER/doctor.
Related hazard statements:
Skin Contact
Measures if substance contacts the skin
Eye Contact
Measures if substance gets into the eyes
First Aid Actions
- +P305IF IN EYES:
- +P351Rinse cautiously with water for several minutes.
- +P338Remove contact lenses, if present and easy to do. Continue rinsing.
- +P313Get medical advice/attention.
Related hazard statements:
Ingestion
Measures if substance is accidentally swallowed
First Aid Actions
- +P301IF SWALLOWED:
- +P330Rinse mouth.
- +P331Do NOT induce vomiting.
- +P310Immediately call a POISON CENTER/doctor.
Related hazard statements:
General Measures
Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)
First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.
Transport (ADR)
| UN Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | 1,2-Benzisothiaozol-3(2H)-on |
| Marine Pollutant | No |
Frequently Asked Questions
What is 1,2-benzothiazol-3-one?
1,2-benzothiazol-3-one is an organic heterocyclic compound with the molecular formula C7H5NOS and CAS number 2634-33-5. This benzothiazole derivative has a molecular weight of 151.19 g/mol and features a fused benzene-thiazole ring system with a ketone group at position 3. It is classified as a hazardous substance with multiple risk categories including acute toxicity, skin and eye irritation, skin sensitization, and aquatic toxicity.
What are the physicochemical properties of 1,2-benzothiazol-3-one?
1,2-benzothiazol-3-one is a solid organic compound at room temperature with a molecular weight of 151.19 g/mol. The substance contains sulfur, nitrogen, and oxygen atoms within its heterocyclic structure, giving it polar characteristics. Its benzothiazole backbone provides aromatic stability while the ketone functionality influences its reactivity. Specific physical properties such as melting point, solubility, and appearance may vary depending on purity and crystalline form.
What is 1,2-benzothiazol-3-one used for?
1,2-benzothiazol-3-one serves as an important intermediate in pharmaceutical and chemical synthesis. It is commonly used in the production of various pharmaceutical compounds, particularly those requiring benzothiazole moieties. The compound also finds applications in the synthesis of dyes, pigments, and other specialty chemicals. Its heterocyclic structure makes it valuable for developing biologically active molecules and as a building block in organic synthesis processes.
How to handle 1,2-benzothiazol-3-one safely?
1,2-benzothiazol-3-one requires careful handling due to its classification as Acute Tox. 2 and multiple hazard categories. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing to prevent skin and eye contact. Work in well-ventilated areas or under fume hoods to avoid inhalation. The substance is a strong skin sensitizer (Skin Sens. 1A), so preventing dermal exposure is critical. Follow strict hygiene protocols and wash hands thoroughly after handling.
How to store 1,2-benzothiazol-3-one correctly?
1,2-benzothiazol-3-one should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Keep containers upright and properly labeled according to GHS requirements with appropriate pictograms (GHS06, GHS05, GHS09). Store separately from incompatible materials and ensure access is restricted to trained personnel only. Regular inspection of containers for damage or leaks is essential to maintain storage integrity and safety.
What to do in case of contact with 1,2-benzothiazol-3-one?
In case of skin contact with 1,2-benzothiazol-3-one, immediately remove contaminated clothing and wash the affected area with plenty of soap and water for at least 15 minutes. For eye contact, rinse immediately with clean water for at least 15 minutes and seek medical attention due to its Eye Dam. 1 classification. If inhaled, move to fresh air immediately. If ingested, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for specific first aid measures.
How to dispose of 1,2-benzothiazol-3-one properly?
1,2-benzothiazol-3-one must be disposed of as hazardous waste through authorized waste management companies in compliance with local and European regulations. The substance cannot be disposed of in regular waste streams due to its toxicity and environmental hazard classification (Aquatic Acute 1). Container disposal should follow the same hazardous waste protocols. Incineration at licensed high-temperature facilities is typically the preferred treatment method, ensuring complete destruction while meeting emission standards.
How to transport 1,2-benzothiazol-3-one?
1,2-benzothiazol-3-one is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transportation purposes. This classification requires appropriate packaging, labeling, and documentation according to European transport regulations. Packages must display proper shipping names, UN numbers, and hazard labels. Transport vehicles should carry appropriate emergency response information and drivers must have ADR certification. Special handling procedures apply during loading, transport, and unloading operations.
Is 1,2-benzothiazol-3-one subject to specific regulations?
1,2-benzothiazol-3-one is subject to European REACH regulation and CLP classification requirements. While not currently listed as an SVHC (Substance of Very High Concern), its multiple hazard classifications require compliance with occupational safety regulations and environmental protection measures. Users must maintain safety data sheets, implement appropriate risk management measures, and ensure worker protection standards are met. Import/export may require additional documentation depending on destination countries and quantities involved.
Where to buy 1,2-benzothiazol-3-one in Europe?
1,2-benzothiazol-3-one is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound to pharmaceutical, chemical, and research industries across Europe with appropriate documentation including certificates of analysis and safety data sheets. As an established chemical distributor, OYSI ensures regulatory compliance and proper handling procedures. Contact OYSI directly for availability, technical specifications, packaging options, and delivery information for your specific requirements.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.