6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
C12H13NO2S
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Identification
- CAS Number
- 5234-68-4
- EC Number
- 226-031-1
- UN Number
- 3077
- Index Number
- 616-226-00-3
- PubChem CID
- 21307
Physical-chemical properties
- Molecular Formula
- C12H13NO2S
- Molar Mass
- 235.30 g/mol
- IUPAC Name
- 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
Chemical Identifiers
- InChI
- InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)
- InChI Key
- GYSSRZJIHXQEHQ-UHFFFAOYSA-N
Overview
6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide (CAS 5234-68-4) is a heterocyclic organic compound featuring both sulfur and oxygen atoms within its ring structure alongside a phenylcarboxamide functional group. This specialized chemical compound belongs to the oxathiine family, characterized by its distinctive six-membered ring containing both oxygen and sulfur heteroatoms. With a molecular formula of C12H13NO2S and molecular weight of 235.3 g/mol, this substance exhibits unique chemical properties derived from its heterocyclic structure combined with the N-phenylcarboxamide moiety. The compound's structural complexity makes it valuable in various industrial applications where specific chemical reactivity is required. From a safety perspective, 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide requires careful handling due to its classification as STOT RE 2 (specific target organ toxicity upon repeated exposure), Skin Sens. 1 (skin sensitization), and Aquatic Acute/Chronic 1 (hazardous to aquatic environments). The substance carries GHS08, GHS07, and GHS09 pictograms with a "Warning" signal word, indicating moderate health hazards and significant environmental concerns. Its ADR Class 9 classification designates it as a miscellaneous dangerous substance for transport purposes. Industrial applications typically include use as an intermediate in pharmaceutical synthesis, specialty chemical manufacturing, and research applications requiring heterocyclic compounds. The compound shares structural similarities with other specialized chemicals like propan-2-yl N-(2-methoxy-5-phenylanilino)carbamate, which also features phenylamine functionality, making both valuable in similar synthetic pathways. Its unique oxathiine ring system provides specific reactivity patterns useful in advanced organic synthesis and material science applications. OYSI maintains reliable supply chains for this specialized chemical compound, ensuring consistent availability for European industrial customers requiring high-quality heterocyclic intermediates.
Safety & Classification
STOT RE 2; 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:
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 | Carboxin (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide?
6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide is an organic chemical compound with the molecular formula C12H13NO2S and CAS number 5234-68-4. This substance belongs to the oxathiine family and features a heterocyclic ring structure containing both sulfur and oxygen atoms. With a molecular weight of 235.3 g/mol, it is classified as hazardous with specific concerns for repeated exposure toxicity, skin sensitization, and aquatic toxicity. The compound carries GHS warning pictograms and requires careful handling in industrial applications.
What are the physicochemical properties of 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide?
6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide is a solid organic compound at room temperature with a molecular weight of 235.3 g/mol. The substance contains a heterocyclic oxathiine ring system combined with a phenyl carboxamide group, giving it specific chemical stability and reactivity characteristics. Its molecular structure C12H13NO2S indicates the presence of aromatic and heterocyclic components. Detailed physical properties such as melting point, solubility, and appearance should be confirmed through technical datasheets from suppliers.
What is 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide used for?
6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide is primarily used as an intermediate in chemical synthesis and pharmaceutical research applications. The compound's oxathiine structure makes it valuable in the development of biologically active molecules and specialty chemicals. Its specific molecular configuration allows for further chemical modifications in laboratory and industrial settings. Applications may include use as a building block in drug discovery programs and as a research chemical for academic institutions. Professional use requires appropriate safety measures due to its hazard classification.
How to handle 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide safely?
6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide requires careful handling due to its skin sensitization potential and repeated exposure toxicity. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing to prevent skin contact. Work should be conducted in well-ventilated areas or under fume hoods to minimize inhalation exposure. Given its Skin Sens. 1 and STOT RE 2 classifications, avoid prolonged or repeated contact and ensure proper hygiene practices. Always consult the safety data sheet before handling and maintain emergency procedures nearby.
How to store 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide correctly?
6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide should be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly closed and properly labeled with hazard information including GHS pictograms GHS07, GHS08, and GHS09. Storage areas must be designed to prevent environmental release due to the substance's aquatic toxicity classification. Implement appropriate containment measures and restrict access to authorized personnel only. Regular inspection of storage containers and compliance with local chemical storage regulations are essential for safe long-term storage.
What to do in case of contact with 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide?
Immediate action is required in case of contact with 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide due to its skin sensitization properties. For skin contact, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. In case of eye contact, rinse immediately with clean water for 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. Seek medical attention if irritation persists or if significant exposure has occurred. Always consult the specific safety data sheet for detailed first aid measures.
How to dispose of 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide appropriately?
6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide must be disposed of through authorized hazardous waste management facilities due to its environmental and health hazards. The substance's aquatic toxicity classification (Aquatic Acute 1, Aquatic Chronic 1) prohibits disposal into sewers, waterways, or regular waste streams. Contact licensed waste disposal companies specializing in chemical waste treatment. Ensure proper documentation and tracking according to local and European waste regulations. Small quantities may require special collection procedures, while larger amounts need professional hazardous waste transportation and treatment services.
How to transport 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide?
6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide 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 dangerous goods regulations. Transport vehicles must display proper placarding and drivers need appropriate training for hazardous materials transport. Shipping documentation must include the correct UN identification, proper shipping name, and hazard class information. Professional logistics companies experienced in chemical transportation should handle shipments to ensure regulatory compliance and safety throughout the transport process.
Is 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide subject to specific regulations?
6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide is subject to various European chemical regulations including REACH registration requirements and CLP classification obligations. The substance is not currently listed as a Substance of Very High Concern (SVHC), but must comply with standard chemical safety assessments. Its hazard classification under CLP requires appropriate labeling, safety data sheets, and risk management measures. Transport is regulated under ADR as Class 9 dangerous goods. Users must ensure compliance with occupational exposure limits and environmental protection measures due to its toxicity profile.
Where to buy 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide in Europe?
6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide is available through OYSI, a specialized European distributor of chemical products serving industrial and research customers. OYSI provides comprehensive support including technical documentation, safety data sheets, and regulatory compliance assistance for this specialty chemical. The company ensures proper packaging, labeling, and transportation according to ADR Class 9 requirements. Professional customers can contact OYSI for availability, technical specifications, and application support. As a European distributor, OYSI facilitates efficient supply chain management while maintaining high safety and quality standards.
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6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide 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.