S-ethyl azepane-1-carbothioate
C9H17NOS
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Identification
- CAS Number
- 2212-67-1
- EC Number
- 218-661-0
- UN Number
- 2992
- Index Number
- 613-051-00-4
- PubChem CID
- 16653
Physical-chemical properties
- Molecular Formula
- C9H17NOS
- Molar Mass
- 187.30 g/mol
- IUPAC Name
- S-ethyl azepane-1-carbothioate
Chemical Identifiers
- InChI
- InChI=1S/C9H17NOS/c1-2-12-9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3
- InChI Key
- DEDOPGXGGQYYMW-UHFFFAOYSA-N
Overview
S-ethyl azepane-1-carbothioate (CAS 2212-67-1) is an organosulfur compound with carbothioate functionality and seven-membered ring structure. This chemical compound, also known by its EC number 218-661-0, belongs to the family of carbothioate derivatives featuring a characteristic azepane ring system. With a molecular formula of C9H17NOS and molecular weight of 187.3 g/mol, S-ethyl azepane-1-carbothioate represents an important intermediate in organic synthesis and industrial applications. The compound's structure combines the reactivity of the carbothioate group with the conformational properties of the seven-membered azepane ring, making it valuable for specialized chemical processes. From a safety perspective, this substance requires careful handling due to its classification under multiple hazard categories. The compound carries a "Warning" signal word and is associated with GHS pictograms GHS07, GHS08, and GHS09, indicating potential health and environmental concerns. Its ADR classification as Class 6.1 reflects its toxic properties, necessitating appropriate storage and transportation protocols. The substance shows suspected carcinogenic and reproductive toxicity properties, along with acute toxicity, skin sensitization potential, and aquatic toxicity concerns. In industrial applications, S-ethyl azepane-1-carbothioate serves primarily as a chemical intermediate in pharmaceutical synthesis and specialty chemical manufacturing. It finds use in the production of agrochemical compounds where its unique ring structure provides specific biological activity profiles. The compound is also utilized in research applications alongside related substances such as 1,2-diphenylguanidine in rubber chemistry applications. OYSI provides reliable access to S-ethyl azepane-1-carbothioate for qualified industrial customers throughout Europe, supporting diverse chemical manufacturing and research requirements.
Safety & Classification
Carc. 2; Repr. 2; Acute Tox. 4 *; Acute Tox. 4 *; STOT RE 2 *; Skin Sens. 1; Aquatic Acute 1; Aqu...
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
First Aid Actions
- +P302IF ON SKIN:
- +P352Wash with plenty of water.
- +P361Take off immediately all contaminated clothing.
- +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 | 2992 |
| ADR Class | 6.1 |
| Packing Group | III |
| Tunnel Code | E |
| Proper Shipping Name | Molinat (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is S-ethyl azepane-1-carbothioate?
S-ethyl azepane-1-carbothioate is an organic chemical compound with the molecular formula C9H17NOS and CAS number 2212-67-1. This substance belongs to the carbothioate family and has a molecular weight of 187.3 g/mol. It is classified as a hazardous chemical with multiple health and environmental concerns, including carcinogenic and reproductive toxicity properties, requiring careful handling and regulatory compliance.
What are the physicochemical properties of S-ethyl azepane-1-carbothioate?
S-ethyl azepane-1-carbothioate is an organic compound with molecular formula C9H17NOS and molecular weight 187.3 g/mol. As a carbothioate derivative containing sulfur and nitrogen functional groups, it typically exists as a liquid or solid at room temperature. The specific physical properties such as melting point, boiling point, and solubility depend on storage conditions and purity grade.
What is S-ethyl azepane-1-carbothioate used for?
S-ethyl azepane-1-carbothioate is primarily used as a chemical intermediate in pharmaceutical and agrochemical synthesis. Its azepane ring structure and carbothioate functional group make it valuable for developing biologically active compounds. Due to its hazardous classification including carcinogenic properties, its use is restricted to professional industrial applications with appropriate safety measures and regulatory compliance.
How to handle S-ethyl azepane-1-carbothioate safely?
S-ethyl azepane-1-carbothioate requires strict safety protocols due to its hazardous classification. Personnel must wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and respiratory protection. Work should be conducted in well-ventilated areas or under fume hoods. Avoid skin contact, inhalation, and ingestion. Ensure emergency procedures are in place and personnel are trained on hazard communication.
How to store S-ethyl azepane-1-carbothioate correctly?
S-ethyl azepane-1-carbothioate must be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Storage areas should be secured and accessible only to trained personnel due to its carcinogenic and reproductive toxicity classification. Containers should be properly labeled with GHS pictogrammes (GHS08, GHS07, GHS09) and safety information.
What to do in case of contact with S-ethyl azepane-1-carbothioate?
Immediate action is required following contact with S-ethyl azepane-1-carbothioate due to its acute toxicity. For skin contact, remove contaminated clothing and rinse thoroughly with water for at least 15 minutes. If inhaled, move to fresh air immediately. For eye contact, flush with water for 15 minutes. Seek immediate medical attention in all cases and provide the safety data sheet to medical personnel.
How to dispose of S-ethyl azepane-1-carbothioate properly?
S-ethyl azepane-1-carbothioate disposal must comply with hazardous waste regulations due to its toxic and environmental hazard classification. The substance cannot be disposed of in regular waste streams and requires treatment by licensed hazardous waste disposal facilities. Contact authorized waste management companies for proper collection, treatment, and disposal according to local, national, and European waste legislation.
How to transport S-ethyl azepane-1-carbothioate?
S-ethyl azepane-1-carbothioate is classified under ADR Class 6.1 (Toxic substances), Packing Group III for transportation. Packages must comply with UN packaging requirements and bear appropriate hazard labels and markings. Transportation requires proper documentation including transport documents and emergency response information. Only trained personnel and approved carriers should handle the transportation of this hazardous material.
Is S-ethyl azepane-1-carbothioate subject to specific regulations?
S-ethyl azepane-1-carbothioate is subject to comprehensive European chemical regulations including REACH registration and CLP classification requirements. Its classification as carcinogenic (Carc. 2) and reproductive toxicant (Repr. 2) subjects it to strict regulatory controls. Users must comply with occupational exposure limits, risk assessment requirements, and may need authorization for certain uses under REACH regulation.
Where to buy S-ethyl azepane-1-carbothioate in Europe?
S-ethyl azepane-1-carbothioate is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this regulated substance to qualified industrial customers with proper documentation and compliance support. Due to its hazardous classification and regulatory requirements, purchases are restricted to professional users with demonstrated technical competence and appropriate safety infrastructure.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.