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 sulfonamide functionality and cyclohexyl substitution. This specialized organic compound represents an important class of heterocyclic molecules featuring a benzothiophene core structure with distinctive sulfonyl and carboxamide functional groups. With the molecular formula C15H17NO3S and a molecular weight of 291.4 g/mol, this compound exhibits unique chemical properties that make it valuable for various industrial applications. The molecule's structure incorporates a fused benzene-thiophene ring system that has been oxidized to form the characteristic 1,1-dioxo functionality, while the cyclohexyl group provides specific steric and hydrophobic characteristics. From a safety perspective, N-cyclohexyl-1,1-dioxo-1-benzothiophene-2-carboxamide requires careful handling due to its classification as Acute Tox. 4, Eye Dam. 1, with additional aquatic toxicity concerns (Aquatic Acute 1 and Aquatic Chronic 1). The compound carries the "Danger" signal word and displays GHS pictograms GHS07, GHS05, and GHS09, indicating health hazards, serious eye damage potential, and environmental risks. Its ADR classification as Class 9 miscellaneous dangerous goods necessitates appropriate transport and storage protocols. This compound finds applications in pharmaceutical intermediates synthesis, specialty chemical manufacturing, and research applications where benzothiophene derivatives are required. Its structural similarity to other sulfonamide compounds, such as 3-amino-4-hydroxy-N-(3-propan-2-yloxypropyl)benzenesulfonamide hydrochloride, positions it within a broader family of bioactive molecules with potential therapeutic applications. OYSI provides reliable access to N-cyclohexyl-1,1-dioxo-1-benzothiophene-2-carboxamide through our extensive European distribution network, ensuring quality and regulatory compliance for industrial customers.
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 substance has a molecular weight of 291.4 g/mol and belongs to the benzothiophene carboxamide family. It is classified as hazardous due to its acute toxicity, severe eye damage potential, 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 molecule contains a benzothiophene ring system with a sulfonyl group and a cyclohexyl carboxamide substituent. Its chemical structure suggests limited water solubility due to the hydrophobic cyclohexyl and aromatic components, while the amide and sulfonyl groups provide some polar character to the molecule.
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 a chemical intermediate in pharmaceutical and fine chemical synthesis. Its benzothiophene structure makes it valuable for developing bioactive compounds and pharmaceutical intermediates. The compound may also serve as a research chemical in academic and industrial laboratories for synthetic chemistry applications and structure-activity relationship studies in drug discovery programs.
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 toxicity and severe eye damage potential. Essential personal protective equipment includes chemical-resistant gloves, safety goggles or face shield, and protective clothing. Work should be conducted in well-ventilated areas or under fume hoods. Avoid skin and eye contact, inhalation, and ingestion. Use appropriate engineering controls and ensure emergency eyewash stations are readily accessible.
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 tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers upright and protected from physical damage. Storage areas should be equipped with appropriate spill control measures and restricted to authorized personnel only. Maintain proper labeling and safety data sheets accessible. Regular inventory checks ensure container integrity and proper storage conditions.
What to do in case of contact with N-cyclohexyl-1,1-dioxo-1-benzothiophene-2-carboxamide?
Immediate first aid is crucial for N-cyclohexyl-1,1-dioxo-1-benzothiophene-2-carboxamide exposure. For eye contact, rinse immediately with plenty of water for at least 15 minutes and seek medical attention due to severe eye damage potential. For skin contact, wash thoroughly with soap and water. If inhaled, move to fresh air immediately. If ingested, do not induce vomiting and seek immediate medical attention. Always consult a poison control center or physician for specific medical advice.
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 hazardous waste regulations due to its toxicity and environmental impact. The substance should be collected as hazardous chemical waste and disposed of through licensed waste management facilities. Incineration at appropriate high-temperature facilities is typically the preferred method. Never dispose of in regular trash, sewers, or waterways due to its aquatic toxicity classification.
How to transport N-cyclohexyl-1,1-dioxo-1-benzothiophene-2-carboxamide?
N-cyclohexyl-1,1-dioxo-1-benzothiophene-2-carboxamide is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transportation purposes. Packaging must comply with UN specifications and proper hazard labels must be affixed. Transport documents must include the correct shipping name and UN number. Vehicles must carry appropriate emergency equipment and drivers require proper training for hazardous materials transport according to ADR regulations.
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 REACH regulation in Europe and must comply with CLP classification requirements. It is classified under multiple hazard categories including acute toxicity, serious eye damage, and aquatic toxicity. The substance is not currently listed as SVHC (Substance of Very High Concern). Users must ensure proper registration, safety data sheet availability, and compliance with occupational exposure limits and environmental protection measures.
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 and pharmaceutical intermediates. OYSI provides this compound with complete regulatory documentation including safety data sheets and certificates of analysis. As a professional chemical supplier, OYSI ensures proper packaging, labeling, and compliance with European chemical regulations for safe delivery to qualified industrial and research customers across Europe.
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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.