N-cyclohexyl-1,1-dioxo-1-benzothiophene-2-carboxamide
C15H17NO3S
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Identification
- CAS Number
- 149118-66-1
- EC Number
- 423-990-1
- UN Number
- 3077
- Index Number
- 616-133-00-8
- PubChem CID
- 9860832
Physical-chemical properties
- Molecular Formula
- C15H17NO3S
- Molar Mass
- 291.40 g/mol
- IUPAC Name
- N-cyclohexyl-1,1-dioxo-1-benzothiophene-2-carboxamide
Chemical Identifiers
- InChI
- InChI=1S/C15H17NO3S/c17-15(16-12-7-2-1-3-8-12)14-10-11-6-4-5-9-13(11)20(14,18)19/h4-6,9-10,12H,1-3,7-8H2,(H,16,17)
- InChI Key
- VOZSTWKINVCUQY-UHFFFAOYSA-N
Overview
N-cyclohexyl-1,1-dioxo-1-benzothiophene-2-carboxamide (CAS 149118-66-1) is a benzothiophene derivative compound with carboxamide functionality and significant toxicological properties. This specialized organic compound belongs to the benzothiophene family, characterized by a fused benzene-thiophene ring system with a dioxo substitution pattern and an N-cyclohexyl carboxamide group. With a molecular formula of C15H17NO3S and molecular weight of 291.4 g/mol, this substance exhibits distinctive chemical properties that make it valuable for specific industrial applications. The compound's structure combines the aromatic stability of the benzothiophene core with the functional versatility of the carboxamide moiety, creating unique reactivity patterns. Safety considerations are paramount when handling this material, as it carries multiple hazard classifications including acute toxicity (Category 4), serious eye damage (Category 1), and significant aquatic toxicity for both acute and chronic exposure scenarios. The substance requires careful handling procedures and appropriate personal protective equipment, particularly eye protection and respiratory safety measures. Its classification under ADR Class 9 indicates it as a miscellaneous dangerous substance requiring specialized transport protocols. Industrial applications typically include use as an intermediate in pharmaceutical synthesis, specialty chemical manufacturing, and research applications where the benzothiophene scaffold provides essential structural properties. The compound shares chemical space with related sulfonamide derivatives like 3-amino-4-hydroxy-N-(3-propan-2-yloxypropyl)benzenesulfonamide;hydrochloride, which also features aromatic amine functionality, though with different core structures and applications. OYSI provides reliable access to N-cyclohexyl-1,1-dioxo-1-benzothiophene-2-carboxamide for qualified industrial customers across European markets, ensuring compliance with all relevant safety and regulatory requirements.
Safety & Classification
Acute Tox. 4 *; Eye Dam. 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
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 | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | N-Cyclohexyl-S,S-dioxobenzo[b]tiophen-2-carboxamid |
| Marine Pollutant | No |
Frequently Asked Questions
What is N-cyclohexyl-1,1-dioxo-1-benzothiophene-2-carboxamide?
N-cyclohexyl-1,1-dioxo-1-benzothiophene-2-carboxamide is an organic compound with the molecular formula C15H17NO3S and CAS number 149118-66-1. This chemical belongs to the benzothiophene derivative family and has a molecular weight of 291.4 g/mol. It is classified as a hazardous substance with acute toxicity, eye damage, and aquatic toxicity properties, requiring careful handling and appropriate safety measures in industrial applications.
What are the physicochemical properties of N-cyclohexyl-1,1-dioxo-1-benzothiophene-2-carboxamide?
N-cyclohexyl-1,1-dioxo-1-benzothiophene-2-carboxamide is a solid organic compound at room temperature with a molecular weight of 291.4 g/mol. The compound contains sulfur, nitrogen, and oxygen functional groups within its benzothiophene structure. Its solubility characteristics and exact physical appearance depend on purity and crystalline form. The presence of both polar and non-polar regions in its molecular structure influences its chemical behavior and compatibility with various solvents and reaction conditions.
What is N-cyclohexyl-1,1-dioxo-1-benzothiophene-2-carboxamide used for?
N-cyclohexyl-1,1-dioxo-1-benzothiophene-2-carboxamide is primarily used as an intermediate in pharmaceutical and fine chemical synthesis. Its benzothiophene structure makes it valuable in medicinal chemistry research and drug development processes. The compound may also serve as a building block for specialty chemicals and advanced materials applications. Due to its specific molecular structure, it finds applications in research laboratories and specialized industrial processes requiring precise chemical modifications.
How to handle N-cyclohexyl-1,1-dioxo-1-benzothiophene-2-carboxamide safely?
N-cyclohexyl-1,1-dioxo-1-benzothiophene-2-carboxamide requires careful handling due to its Acute Tox. 4 and Eye Dam. 1 classifications. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume hoods to avoid inhalation. Prevent skin and eye contact, as the substance can cause severe eye damage. Always wash hands thoroughly after handling and avoid eating, drinking, or smoking during work with this chemical.
How to store N-cyclohexyl-1,1-dioxo-1-benzothiophene-2-carboxamide correctly?
N-cyclohexyl-1,1-dioxo-1-benzothiophene-2-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. Store away from heat sources, direct sunlight, and moisture. Due to its aquatic toxicity classification, ensure containment measures prevent environmental release. Separate from oxidizing agents and other reactive chemicals. Implement appropriate spill containment measures and restrict access to authorized personnel only.
What to do in case of contact with N-cyclohexyl-1,1-dioxo-1-benzothiophene-2-carboxamide?
N-cyclohexyl-1,1-dioxo-1-benzothiophene-2-carboxamide exposure requires immediate action due to its eye damage and acute toxicity properties. For eye contact, immediately flush with plenty of water for at least 15 minutes and seek medical attention. For skin contact, wash thoroughly with soap and water. If inhaled, move to fresh air immediately. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always consult a physician and provide the safety data sheet for proper medical treatment.
How to dispose of N-cyclohexyl-1,1-dioxo-1-benzothiophene-2-carboxamide appropriately?
N-cyclohexyl-1,1-dioxo-1-benzothiophene-2-carboxamide disposal must comply with local and national environmental regulations due to its aquatic toxicity classification. Contact licensed waste disposal companies specialized in hazardous chemical waste. Never dispose of this substance in regular waste, sewers, or water systems. Collect waste in appropriate containers, properly labeled and segregated from other materials. Incineration at authorized facilities may be required. Always consult local environmental authorities for specific disposal requirements and approved waste management facilities.
How to transport N-cyclohexyl-1,1-dioxo-1-benzothiophene-2-carboxamide?
N-cyclohexyl-1,1-dioxo-1-benzothiophene-2-carboxamide is classified under ADR Class 9 (Miscellaneous dangerous goods), Packing Group III. Transportation requires appropriate UN-approved packaging and proper hazard labeling. Vehicles must carry relevant transport documents and emergency response information. Drivers need appropriate training for dangerous goods transport. Ensure packages are properly secured and protected from damage during transit. Follow ADR regulations for loading, segregation, and emergency procedures to ensure safe transportation throughout Europe.
Is N-cyclohexyl-1,1-dioxo-1-benzothiophene-2-carboxamide subject to specific regulations?
N-cyclohexyl-1,1-dioxo-1-benzothiophene-2-carboxamide is subject to European chemical regulations including REACH and CLP. It is not currently listed as a Substance of Very High Concern (SVHC). Suppliers must provide safety data sheets and ensure proper classification and labeling according to CLP regulation. Users must implement appropriate risk management measures based on the substance's hazard profile. Always check current regulatory status and any updates to restrictions or authorizations before use in commercial applications.
Where to buy N-cyclohexyl-1,1-dioxo-1-benzothiophene-2-carboxamide in Europe?
N-cyclohexyl-1,1-dioxo-1-benzothiophene-2-carboxamide is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides high-quality chemical products with proper documentation, safety data sheets, and regulatory compliance for European markets. As a professional chemical distributor, OYSI ensures reliable supply chains and technical support for industrial customers. Contact OYSI directly for availability, specifications, packaging options, and delivery throughout Europe for your specific application requirements.
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N-cyclohexyl-1,1-dioxo-1-benzothiophene-2-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.