2-methyl-1,2-benzothiazol-3-one

C8H7NOS

CAS2527-66-4
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
2527-66-4
UN Number
2923
Index Number
613-336-00-3
PubChem CID
351236

Physical-chemical properties

Molecular Formula
C8H7NOS
Molar Mass
165.21 g/mol
IUPAC Name
2-methyl-1,2-benzothiazol-3-one

Chemical Identifiers

InChI
InChI=1S/C8H7NOS/c1-9-8(10)6-4-2-3-5-7(6)11-9/h2-5H,1H3
InChI Key
RDWXSJCICPOOKO-UHFFFAOYSA-N

Overview

2-methyl-1,2-benzothiazol-3-one (CAS 2527-66-4) is a heterocyclic organic compound with antimicrobial and preservative properties. This benzothiazolone derivative represents an important class of sulfur-nitrogen heterocycles widely utilized in industrial applications requiring effective biocidal activity. With its molecular formula C8H7NOS and molecular weight of 165.21 g/mol, 2-methyl-1,2-benzothiazol-3-one exhibits significant biological activity that makes it valuable across multiple industrial sectors. The compound's heterocyclic structure, featuring both sulfur and nitrogen atoms within the benzothiazole ring system, contributes to its distinctive chemical reactivity and antimicrobial efficacy. Safety considerations are paramount when handling this substance, as it is classified under multiple hazard categories including acute toxicity, skin corrosion, and eye damage. The compound requires careful handling protocols due to its corrosive nature and potential for skin sensitization. Environmental precautions are also essential given its aquatic toxicity classification. The ADR Class 8 designation indicates its corrosive properties during transport and storage. Primary industrial applications include use as a biocide in metalworking fluids, where it provides effective antimicrobial protection against bacteria and fungi. The compound also finds application in leather processing as a preservative agent and in certain polymer formulations where antimicrobial properties are required. Unlike simpler heterocycles such as 2-chloro-5-(chloromethyl)-1,3-thiazole, this benzothiazolone derivative offers enhanced stability and broader spectrum activity. OYSI provides 2-methyl-1,2-benzothiazol-3-one to European industrial customers with comprehensive technical support and regulatory documentation to ensure safe and compliant usage across all applications.

Safety & Classification

Danger
Classification:

Acute Tox. 4; Acute Tox. 3; Skin Corr. 1C; Eye Dam. 1; Skin Sens. 1A; Aquatic Acute 1; Aquatic Ch...

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H312

Harmful in contact with skin.

H301

Toxic if swallowed.

H314

Causes severe skin burns and eye damage.

H318

Causes serious eye damage.

H317

May cause an allergic skin reaction.

H400

Very toxic to aquatic life.

H411

Toxic to aquatic life with long lasting effects.

H410

Very toxic to aquatic life with long lasting effects.

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

Skin Contact

Harmful

Measures if substance contacts the skin

First Aid Actions

  • +P302IF ON SKIN:
  • +P352Wash with plenty of water.
  • +P361Take off immediately all contaminated clothing.
  • +P313Get medical advice/attention.

Related hazard statements:

Eye Contact

Harmful

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

Toxic

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 Number2923
ADR Class8
Packing GroupIII
Tunnel CodeE
Proper Shipping Name2-Methyl-1,2-benzisothiazol-3(2H)-on
Marine PollutantNo

Frequently Asked Questions

What is 2-methyl-1,2-benzothiazol-3-one?

2-methyl-1,2-benzothiazol-3-one is an organic chemical compound with the molecular formula C8H7NOS and CAS number 2527-66-4. This benzothiazole derivative has a molecular weight of 165.21 g/mol and belongs to the heterocyclic compound family. It is classified as a hazardous substance with multiple safety concerns including acute toxicity, skin corrosion, eye damage, and skin sensitization properties, requiring careful handling in industrial applications.

What are the physicochemical properties of 2-methyl-1,2-benzothiazol-3-one?

2-methyl-1,2-benzothiazol-3-one is a solid organic compound at room temperature with a molecular weight of 165.21 g/mol. The compound contains sulfur, nitrogen, and oxygen atoms within its benzothiazole ring structure, giving it specific chemical reactivity. Its exact physical properties such as melting point, boiling point, and solubility depend on purity and specific conditions, but it typically appears as a crystalline solid with characteristic aromatic properties.

What is 2-methyl-1,2-benzothiazol-3-one used for?

2-methyl-1,2-benzothiazol-3-one is primarily used as an intermediate in chemical synthesis and pharmaceutical manufacturing. This benzothiazole derivative serves as a building block for producing various organic compounds, including potential pharmaceutical active ingredients and specialty chemicals. Its unique molecular structure makes it valuable in research and development applications, particularly in medicinal chemistry and materials science where benzothiazole derivatives are required for specific synthetic pathways.

How to handle 2-methyl-1,2-benzothiazol-3-one safely?

2-methyl-1,2-benzothiazol-3-one requires strict safety measures due to its corrosive and toxic properties. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, face protection, and protective clothing to prevent skin and eye contact. Work should be conducted in well-ventilated areas or under fume hoods to avoid inhalation. The substance can cause severe skin burns, eye damage, and acute toxicity, so minimize exposure time and ensure emergency shower and eyewash stations are accessible.

How to store 2-methyl-1,2-benzothiazol-3-one correctly?

2-methyl-1,2-benzothiazol-3-one should be stored in tightly sealed, chemically compatible containers in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Due to its corrosive nature (Skin Corr. 1C), use corrosion-resistant containers and ensure secondary containment. Store separately from oxidizing agents, bases, and metals. Maintain proper labeling with GHS pictograms (GHS06, GHS05, GHS09) and ensure storage areas are equipped with appropriate spill control measures and emergency equipment.

What to do in case of contact with 2-methyl-1,2-benzothiazol-3-one?

Immediate action is critical due to the substance's corrosive properties. For skin contact, immediately remove contaminated clothing and rinse affected area with copious amounts of water for at least 15 minutes, then seek medical attention. In case of eye contact, flush immediately with water for at least 15 minutes and get emergency medical care. If inhaled, move to fresh air immediately. If swallowed, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for specific first aid measures.

How to dispose of 2-methyl-1,2-benzothiazol-3-one appropriately?

2-methyl-1,2-benzothiazol-3-one must be disposed of as hazardous waste in accordance with local and European waste regulations. The substance cannot be disposed of in regular waste streams due to its toxic and corrosive properties. Contact licensed hazardous waste disposal companies for proper collection and treatment. Ensure proper waste classification according to the European Waste Catalogue and maintain disposal documentation. Small quantities should be collected in compatible containers and labeled appropriately until professional disposal can be arranged.

How to transport 2-methyl-1,2-benzothiazol-3-one?

2-methyl-1,2-benzothiazol-3-one is classified as ADR Class 8 (corrosive substances), Packing Group III for transportation. This classification requires specific packaging, labeling, and documentation for road transport within Europe. Use UN-approved packaging suitable for corrosive materials, display appropriate hazard labels and placards, and ensure proper shipping documentation including transport document with emergency information. Only trained personnel should handle transport operations, and vehicles must comply with ADR requirements for Class 8 dangerous goods.

Is 2-methyl-1,2-benzothiazol-3-one subject to specific regulations?

2-methyl-1,2-benzothiazol-3-one is subject to multiple European chemical regulations including REACH registration requirements and CLP classification and labeling. The substance is not currently listed as a Substance of Very High Concern (SVHC), but its hazardous properties require compliance with occupational safety regulations and chemical safety assessments. Users must follow workplace exposure limits, implement risk management measures, and ensure proper safety data sheet communication throughout the supply chain according to European chemical legislation.

Where to buy 2-methyl-1,2-benzothiazol-3-one in Europe?

2-methyl-1,2-benzothiazol-3-one is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this hazardous substance with proper documentation, safety data sheets, and regulatory compliance support to qualified industrial customers. As a professional chemical distributor, OYSI ensures appropriate packaging, labeling, and transport arrangements according to ADR Class 8 requirements. Contact OYSI directly for availability, technical specifications, and ordering procedures for this regulated chemical substance.

Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.