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. This benzothiazole derivative represents an important class of sulfur and nitrogen-containing heterocyclic compounds widely utilized in industrial applications. With the molecular formula C7H5NOS and a molecular weight of 151.19 g/mol, 1,2-benzothiazol-3-one features a fused benzene-thiazole ring system that contributes to its unique chemical properties and biological activity. The compound exhibits significant safety considerations, classified under multiple hazard categories including acute toxicity (Category 2 and 4), skin irritation, serious eye damage, and strong skin sensitization potential. Its GHS pictograms (GHS06, GHS05, GHS09) reflect these hazards alongside environmental concerns, particularly aquatic toxicity. Proper handling protocols and personal protective equipment are essential when working with this material, which is transported under ADR Class 9 (miscellaneous dangerous substances). In industrial applications, 1,2-benzothiazol-3-one serves primarily as a biocide and preservative in various formulations, leveraging its antimicrobial efficacy against bacteria and fungi. The compound finds application in metalworking fluids, where it prevents microbial growth and extends fluid life. Additionally, it functions as an intermediate in the synthesis of other specialty chemicals and pharmaceutical compounds. Unlike related compounds such as 2-(trichloromethylsulfanyl)isoindole-1,3-dione, which serves different industrial purposes, 1,2-benzothiazol-3-one's specific ring structure provides optimal biocidal performance in aqueous systems. As a specialized European distributor of technical chemicals, OYSI provides access to quality 1,2-benzothiazol-3-one for industrial customers requiring reliable supply chains and technical support for their formulation needs.
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 contains both sulfur and nitrogen atoms in its ring structure. It is classified as a hazardous substance with multiple danger classifications including acute toxicity, skin and eye irritation, skin sensitization, and aquatic toxicity, requiring careful handling in industrial applications.
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. As a benzothiazole derivative, it typically appears as a crystalline powder with characteristic aromatic properties. The compound contains both hydrophilic and lipophilic regions due to its heterocyclic structure containing nitrogen, sulfur, and oxygen atoms. Specific physical properties such as melting point, boiling point, and solubility data should be confirmed from detailed technical datasheets.
What is 1,2-benzothiazol-3-one used for?
1,2-benzothiazol-3-one is primarily used as a biocide and preservative in industrial applications. It serves as an antimicrobial agent in water treatment systems, paints, coatings, and various industrial fluids where microbial growth control is essential. The compound is also utilized in the formulation of disinfectants and as a preservative in cosmetic and personal care products. Its heterocyclic structure makes it effective against bacteria, fungi, and other microorganisms in various industrial processes.
How to handle 1,2-benzothiazol-3-one safely?
1,2-benzothiazol-3-one requires strict safety precautions due to its acute toxicity and irritant properties. Essential PPE includes chemical-resistant gloves, safety goggles, and respiratory protection to prevent inhalation. Work in well-ventilated areas or use local exhaust ventilation systems. Avoid skin and eye contact, and prevent dust formation during handling. Use appropriate engineering controls and ensure emergency washing facilities are readily available. All personnel must be trained on the specific hazards and emergency procedures before handling this substance.
How to store 1,2-benzothiazol-3-one correctly?
1,2-benzothiazol-3-one should be stored in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Keep containers tightly closed to prevent moisture absorption and contamination. Store separately from incompatible materials such as strong oxidizers, acids, and bases. Ensure storage areas are equipped with appropriate spill containment measures and maintain temperatures within recommended ranges. Regular inspection of containers for damage or leakage is essential to maintain product integrity and safety.
What to do in case of contact with 1,2-benzothiazol-3-one?
Immediate action is required for any contact with 1,2-benzothiazol-3-one due to its toxicity and irritant properties. For skin contact, remove contaminated clothing and wash affected areas with plenty of water for at least 15 minutes. In case of eye contact, flush immediately with water for 15-20 minutes and remove contact lenses if present. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting. Seek immediate medical attention in all cases and provide the safety data sheet to medical personnel.
How to dispose of 1,2-benzothiazol-3-one properly?
1,2-benzothiazol-3-one must be disposed of as hazardous waste in accordance with local, national, and EU regulations. The substance cannot be discharged into sewers, water bodies, or regular waste streams due to its aquatic toxicity and hazardous classification. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Ensure waste containers are properly labeled and documented. Consider recovery or recycling options where technically feasible before disposal. Always consult current waste regulations as requirements may vary by location.
How to transport 1,2-benzothiazol-3-one?
1,2-benzothiazol-3-one is classified under ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transport purposes. Packages must meet UN specification requirements and be properly labeled with hazard markings and orientation arrows where applicable. Transport documents must include proper shipping names, UN numbers, and emergency response information. Vehicles must carry appropriate emergency equipment and drivers require hazardous materials training. Ensure compliance with ADR regulations for loading, segregation, and routing requirements during transportation.
Is 1,2-benzothiazol-3-one subject to specific regulations?
1,2-benzothiazol-3-one is subject to comprehensive EU chemical regulations including REACH and CLP classifications. The substance requires safety data sheets and hazard communication due to its Danger signal word and multiple hazard classifications. While not currently listed as SVHC, its acute toxicity and sensitization properties require compliance with occupational exposure limits and risk assessment procedures. Users must ensure proper registration, evaluation, and authorization where required. Additionally, biocide regulations may apply depending on intended use applications.
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 and industrial raw materials. OYSI provides reliable supply chains across Europe with proper regulatory compliance and technical support. As a hazardous substance requiring specialized handling and documentation, it's essential to work with experienced chemical distributors who understand the regulatory requirements and safety protocols. Contact OYSI directly for availability, specifications, and regulatory documentation specific to your application requirements and location.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.