2-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]thiazol-3-one
C7H9NOS
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Identification
- CAS Number
- 82633-79-2
- EC Number
- 407-630-9
- UN Number
- 2811
- Index Number
- 613-185-00-3
- PubChem CID
- 158190
Physical-chemical properties
- Molecular Formula
- C7H9NOS
- Molar Mass
- 155.22 g/mol
- IUPAC Name
- 2-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]thiazol-3-one
Chemical Identifiers
- InChI
- InChI=1S/C7H9NOS/c1-8-7(9)5-3-2-4-6(5)10-8/h2-4H2,1H3
- InChI Key
- PZOGAKOZVSTZSO-UHFFFAOYSA-N
Overview
2-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]thiazol-3-one (CAS 82633-79-2) is a heterocyclic thiazolone compound with acute toxicity and environmental hazard properties. This specialized thiazole derivative features a fused cyclopentane-thiazole ring system with a ketone functionality, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. With the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol, this compound exhibits significant biological activity that requires careful handling protocols. The substance is classified under multiple hazard categories, including acute toxicity (Category 3), serious eye damage, skin sensitization, and aquatic toxicity, necessitating comprehensive safety measures during storage, handling, and transportation. The compound's structural characteristics, particularly its heterocyclic framework, make it suitable for various synthetic applications where thiazole-containing molecules are required. Unlike simpler biocidal compounds such as 2,2-dibromo-2-cyanoacetamide, this thiazolone derivative offers more complex reactivity patterns due to its fused ring system. Its classification under ADR Class 6.1 reflects its toxic properties, requiring specialized transportation and storage conditions. Primary industrial applications include pharmaceutical intermediate synthesis, where the thiazole moiety serves as a building block for bioactive compounds, agrochemical formulations requiring heterocyclic components, and specialty chemical manufacturing for research and development purposes. The compound's reactivity profile makes it particularly valuable in medicinal chemistry applications where thiazole-containing structures are essential for biological activity. OYSI maintains reliable supply chains for 2-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]thiazol-3-one, ensuring consistent availability for European industrial customers requiring this specialized heterocyclic compound.
Safety & Classification
Acute Tox. 3 *; Eye Dam. 1; Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1
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
Skin Contact
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
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 | 2811 |
| ADR Class | 6.1 |
| Packing Group | III |
| Tunnel Code | E |
| Proper Shipping Name | 2,3,5,6-Tetrahydro-2-methyl-2H-cyclopenta[d]-1,2-thiazol-3-on |
| Marine Pollutant | No |
Frequently Asked Questions
What is 2-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]thiazol-3-one?
2-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]thiazol-3-one is a heterocyclic organic compound with the molecular formula C7H9NOS and CAS number 82633-79-2. This thiazole derivative has a molecular weight of 155.22 g/mol and features a fused cyclopentane-thiazole ring system with a ketone functional group. It is classified as a hazardous substance with significant toxicity and environmental impact properties.
What are the physicochemical properties of 2-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]thiazol-3-one?
2-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]thiazol-3-one is a solid organic compound at room temperature with a molecular weight of 155.22 g/mol. As a heterocyclic compound containing nitrogen, oxygen, and sulfur atoms, it likely exhibits moderate polarity. The presence of the thiazole ring and ketone group suggests potential for hydrogen bonding interactions. Specific physical properties such as melting point, boiling point, and solubility data would require analytical characterization.
What is 2-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]thiazol-3-one used for?
2-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]thiazol-3-one is primarily used as an intermediate in pharmaceutical and fine chemical synthesis. Its thiazole structure makes it valuable for developing bioactive compounds, particularly in medicinal chemistry applications. The compound may also serve as a building block for agrochemical products or specialty materials. Due to its hazardous classification, its use is restricted to professional industrial applications with appropriate safety measures.
How to handle 2-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]thiazol-3-one safely?
2-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]thiazol-3-one requires careful handling due to its acute toxicity and eye damage potential. Essential protective equipment includes chemical-resistant gloves, safety goggles or face shield, and appropriate respiratory protection. Work should be conducted in well-ventilated areas or under fume extraction. Avoid skin and eye contact, inhalation, and ingestion. Handle containers carefully to prevent spills and ensure proper grounding when transferring to prevent static discharge.
How to store 2-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]thiazol-3-one correctly?
2-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]thiazol-3-one should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Due to its hazardous classification, storage must comply with local regulations for toxic substances. Keep containers upright and properly labeled with hazard information. Access should be restricted to trained personnel only. Regular inspection of storage containers is recommended to ensure integrity and prevent environmental release.
What to do in case of contact with 2-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]thiazol-3-one?
Immediate action is required for any contact with 2-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]thiazol-3-one due to its toxic and corrosive properties. For skin contact, remove contaminated clothing and rinse with plenty of water for at least 15 minutes. For eye contact, flush immediately with water for at least 15 minutes and seek urgent medical attention due to potential eye damage. If inhaled, move to fresh air. If ingested, do not induce vomiting and seek immediate medical attention.
How to dispose of 2-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]thiazol-3-one properly?
2-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]thiazol-3-one must be disposed of as hazardous waste according to local and European regulations due to its toxicity and aquatic hazard classification. Disposal should only be conducted by licensed waste management companies specialized in toxic chemical waste. Container residues require the same treatment as the pure substance. Incineration at high temperatures in approved facilities is typically the preferred method. Never discharge to sewers, waterways, or regular waste streams.
How to transport 2-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]thiazol-3-one?
2-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]thiazol-3-one is classified under ADR Class 6.1 (Toxic substances), Packing Group III for transport. This requires appropriate UN-specification packaging, proper labeling with toxic hazard markings, and transport documentation. Vehicles must carry appropriate emergency equipment and drivers need ADR certification for Class 6.1 substances. Special precautions are needed to prevent container damage and environmental release during transit. Professional logistics companies experienced with hazardous chemicals should handle transportation.
Is 2-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]thiazol-3-one subject to specific regulations?
2-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]thiazol-3-one is subject to REACH registration requirements and CLP classification obligations in Europe. It is classified with multiple hazard categories including acute toxicity, eye damage, skin sensitization, and aquatic hazards, requiring appropriate safety data sheets and hazard communication. While not currently listed as SVHC, its hazardous properties require compliance with occupational health regulations and potential restrictions on use. Import and handling may require specific permits depending on national legislation.
Where to buy 2-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]thiazol-3-one in Europe?
2-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]thiazol-3-one is available through OYSI, a specialized European distributor of technical chemicals and intermediates. As a hazardous substance requiring professional handling, it is typically supplied only to qualified industrial customers with appropriate safety infrastructure. OYSI provides comprehensive documentation including safety data sheets and certificates of analysis. Due to the substance's classification and regulatory requirements, procurement requires verification of intended use and compliance with applicable regulations.
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2-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]thiazol-3-one is a dangerous good. We support you with labeling, packaging, and transport documentation.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.