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 potent antimicrobial and preservative properties. This benzothiazolone derivative represents an important class of biocidal compounds widely utilized in industrial applications for microbial control and preservation. With its molecular formula C8H7NOS and molecular weight of 165.21 g/mol, 2-methyl-1,2-benzothiazol-3-one exhibits broad-spectrum antimicrobial activity against bacteria, fungi, and algae. The compound's unique benzothiazole ring structure contributes to its effectiveness as a preservative agent, making it valuable in various industrial formulations. The substance requires careful handling due to its significant safety profile, classified with multiple hazard categories including acute toxicity, skin corrosion, eye damage, and skin sensitization potential. The GHS pictograms GHS06, GHS05, and GHS09 indicate its toxic, corrosive, and environmentally hazardous nature respectively. Transport classification under ADR class 8 reflects its corrosive properties, necessitating appropriate packaging and handling protocols. Primary industrial applications include metalworking fluids preservation, paint and coating formulations, and industrial water treatment systems where microbial control is essential. Unlike simpler antimicrobial compounds such as 2-chloro-5-(chloromethyl)-1,3-thiazole, this benzothiazolone offers enhanced stability and prolonged activity in aqueous systems. The compound's efficacy at relatively low concentrations makes it economically attractive for large-scale industrial preservation applications. OYSI provides 2-methyl-1,2-benzothiazol-3-one to European industrial customers with comprehensive technical support and regulatory documentation for safe handling and application.

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 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 contains sulfur, nitrogen, and oxygen heteroatoms in its cyclic structure. It is classified as a hazardous substance with multiple danger classifications including acute toxicity, skin corrosion, and environmental hazards.

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 features a benzothiazole ring system with a methyl substituent and a ketone functional group. Its chemical structure (C8H7NOS) incorporates aromatic character along with heteroatoms that influence its solubility and reactivity 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 organic synthesis and pharmaceutical manufacturing. This benzothiazole derivative serves as a building block for the production of various chemical compounds, including potential pharmaceutical active ingredients and specialty chemicals. Its unique structural features make it valuable in research and development applications within the chemical industry.

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

2-methyl-1,2-benzothiazol-3-one requires careful handling due to its corrosive and toxic properties. 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 classified as Skin Corr. 1C and Eye Dam. 1, requiring immediate action if contact occurs.

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

2-methyl-1,2-benzothiazol-3-one should be stored in tightly sealed containers in a cool, dry, and well-ventilated area away from heat sources and incompatible materials. Given its corrosive properties and environmental hazard classification (Aquatic Acute 1), storage areas must be equipped with appropriate containment measures. Keep away from oxidizing agents and ensure proper labeling with GHS pictograms GHS06, GHS05, and GHS09.

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 nature. For skin contact, immediately remove contaminated clothing and flush the affected area with plenty of water for at least 15 minutes. For eye contact, rinse immediately with water for at least 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. Given its Acute Tox. 3 and 4 classifications, seek medical attention promptly for any exposure.

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 through licensed waste management companies in compliance with local and EU regulations. Due to its environmental hazard classification (Aquatic Acute 1), it cannot be discharged into water systems or regular waste streams. Contact specialized hazardous waste disposal services and ensure proper documentation for waste tracking and regulatory compliance.

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

2-methyl-1,2-benzothiazol-3-one is classified under ADR Class 8 (corrosive substances), Packing Group III for transportation purposes. This classification requires specific packaging, labeling, and documentation for road transport within Europe. Shipments must comply with ADR regulations including proper packaging specifications, hazard labels, and transport documentation. Only authorized carriers experienced in handling corrosive materials should transport this substance.

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

2-methyl-1,2-benzothiazol-3-one is subject to EU REACH and CLP regulations due to its hazardous properties. The substance is not currently listed as an SVHC (Substance of Very High Concern), but its multiple hazard classifications require compliance with safety data sheet provisions, labeling requirements, and occupational exposure limits. Users must ensure proper risk assessments and implement appropriate risk management measures.

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 compound with full regulatory compliance including proper documentation, safety data sheets, and appropriate packaging for safe delivery across Europe. As a professional chemical distributor, OYSI ensures quality standards and regulatory compliance for industrial and research applications.

Data Sources

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