N-[4-[(2Z)-4-cyano-2-(furan-2-ylmethylidene)-5-oxofuran-3-yl]phenyl]butane-1-sulfonamide
C20H18N2O5S
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Identification
- CAS Number
- 130016-98-7
- EC Number
- 423-250-6
- UN Number
- 3077
- Index Number
- 616-132-00-2
- PubChem CID
- 57495073
Physical-chemical properties
- Molecular Formula
- C20H18N2O5S
- Molar Mass
- 398.40 g/mol
- IUPAC Name
- N-[4-[(2Z)-4-cyano-2-(furan-2-ylmethylidene)-5-oxofuran-3-yl]phenyl]butane-1-sulfonamide
Chemical Identifiers
- InChI
- InChI=1S/C20H18N2O5S/c1-2-3-11-28(24,25)22-15-8-6-14(7-9-15)19-17(13-21)20(23)27-18(19)12-16-5-4-10-26-16/h4-10,12,22H,2-3,11H2,1H3/b18-12-
- InChI Key
- DESLCFKWTJEBGT-PDGQHHTCSA-N
Overview
N-[4-[(2Z)-4-cyano-2-(furan-2-ylmethylidene)-5-oxofuran-3-yl]phenyl]butane-1-sulfonamide (CAS 130016-98-7) is a complex organic sulfonamide compound with notable aquatic toxicity properties and specialized industrial applications. This sophisticated chemical compound features a unique molecular structure combining a sulfonamide functional group with furan rings and a cyano substituent, resulting in a molecular formula of C20H18N2O5S and a molecular weight of 398.4 g/mol. The compound is classified under EC number 423-250-6 and belongs to the specialized category of aromatic sulfonamides with heterocyclic components. Its structural complexity, incorporating both electron-withdrawing cyano groups and furan moieties, contributes to its distinctive chemical behavior and application profile. From a safety perspective, this compound requires careful handling due to its classification as Aquatic Acute 1 and Aquatic Chronic 1, indicating significant environmental hazards to aquatic ecosystems. The GHS09 pictogram and "Warning" signal word emphasize the need for appropriate environmental protection measures during storage, handling, and disposal. Transport regulations classify it under ADR Class 9, designating it as a miscellaneous dangerous substance requiring specific shipping protocols. Industrial applications typically include use as an intermediate in pharmaceutical synthesis, specialty polymer production, and advanced materials manufacturing where its unique structural features provide specific functional properties. Unlike simpler compounds such as copper(1+) thiocyanate, this sulfonamide offers enhanced molecular complexity for specialized applications requiring precise chemical functionality. OYSI maintains reliable supply chains for this specialized chemical compound, ensuring consistent availability for European industrial customers requiring high-quality technical materials.
Safety & Classification
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
Transport (ADR)
| UN Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | N-[4-(4-Cyano-2-furfuryliden-2,5-dihydro-5-oxo-3-furyl)phenyl]butan-1-sulfonamid |
| Marine Pollutant | No |
Frequently Asked Questions
What is N-[4-[(2Z)-4-cyano-2-(furan-2-ylmethylidene)-5-oxofuran-3-yl]phenyl]butane-1-sulfonamide?
N-[4-[(2Z)-4-cyano-2-(furan-2-ylmethylidene)-5-oxofuran-3-yl]phenyl]butane-1-sulfonamide is a synthetic organic compound with the molecular formula C20H18N2O5S and CAS number 130016-98-7. This sulfonamide derivative features a complex molecular structure incorporating furan rings, a cyano group, and a phenyl sulfonamide moiety. With a molecular weight of 398.4 g/mol, it is classified as hazardous to aquatic environments and requires careful handling in industrial applications.
What are the physicochemical properties of N-[4-[(2Z)-4-cyano-2-(furan-2-ylmethylidene)-5-oxofuran-3-yl]phenyl]butane-1-sulfonamide?
N-[4-[(2Z)-4-cyano-2-(furan-2-ylmethylidene)-5-oxofuran-3-yl]phenyl]butane-1-sulfonamide is a solid organic compound with a molecular weight of 398.4 g/mol. As a sulfonamide derivative containing polar functional groups including cyano and sulfonamide moieties, it likely exhibits limited water solubility but good solubility in organic solvents. The presence of conjugated furan rings may impart color characteristics. Specific physical parameters such as melting point, density, and exact solubility data should be confirmed through technical documentation.
What is N-[4-[(2Z)-4-cyano-2-(furan-2-ylmethylidene)-5-oxofuran-3-yl]phenyl]butane-1-sulfonamide used for?
N-[4-[(2Z)-4-cyano-2-(furan-2-ylmethylidene)-5-oxofuran-3-yl]phenyl]butane-1-sulfonamide is primarily used as a research chemical and pharmaceutical intermediate. Its complex molecular structure featuring sulfonamide and furan functionalities makes it valuable for synthetic chemistry applications, drug discovery programs, and academic research. The compound may serve as a building block for developing new pharmaceutical compounds or as an analytical reference standard. Industrial applications are typically limited to specialized chemical synthesis and research laboratories.
How to handle N-[4-[(2Z)-4-cyano-2-(furan-2-ylmethylidene)-5-oxofuran-3-yl]phenyl]butane-1-sulfonamide safely?
Safe handling of N-[4-[(2Z)-4-cyano-2-(furan-2-ylmethylidene)-5-oxofuran-3-yl]phenyl]butane-1-sulfonamide requires appropriate personal protective equipment including chemical-resistant gloves, safety glasses, and laboratory coats. Work in well-ventilated areas or under fume hoods to prevent inhalation. Avoid direct skin and eye contact. Given its aquatic toxicity classification (GHS09 pictogram), prevent environmental release. Use proper handling techniques including weighing in controlled environments and minimizing dust generation. Always consult the safety data sheet before use.
How to store N-[4-[(2Z)-4-cyano-2-(furan-2-ylmethylidene)-5-oxofuran-3-yl]phenyl]butane-1-sulfonamide correctly?
N-[4-[(2Z)-4-cyano-2-(furan-2-ylmethylidene)-5-oxofuran-3-yl]phenyl]butane-1-sulfonamide should be stored in tightly closed containers in a cool, dry, well-ventilated area away from direct sunlight and heat sources. As an organic compound with multiple functional groups, it may be sensitive to moisture and light. Store separately from incompatible materials and oxidizing agents. Ensure proper labeling with GHS pictograms and maintain appropriate secondary containment to prevent environmental contamination due to its aquatic toxicity classification.
What to do in case of contact with N-[4-[(2Z)-4-cyano-2-(furan-2-ylmethylidene)-5-oxofuran-3-yl]phenyl]butane-1-sulfonamide?
Immediate first aid measures for N-[4-[(2Z)-4-cyano-2-(furan-2-ylmethylidene)-5-oxofuran-3-yl]phenyl]butane-1-sulfonamide contact include: For skin contact, remove contaminated clothing and rinse thoroughly with water for at least 15 minutes. For eye contact, flush immediately with clean water for 15-20 minutes while holding eyelids open. If inhaled, move to fresh air immediately. If ingested, do not induce vomiting and seek medical attention. Always consult the safety data sheet for specific guidance and contact emergency services if severe symptoms develop.
How to dispose of N-[4-[(2Z)-4-cyano-2-(furan-2-ylmethylidene)-5-oxofuran-3-yl]phenyl]butane-1-sulfonamide appropriately?
Proper disposal of N-[4-[(2Z)-4-cyano-2-(furan-2-ylmethylidene)-5-oxofuran-3-yl]phenyl]butane-1-sulfonamide requires hazardous waste management due to its aquatic toxicity classification. Never dispose of in regular waste, sewers, or water systems. Contact authorized hazardous waste disposal companies for collection and treatment. The compound must be disposed of according to local, national, and EU waste regulations. Incineration at licensed facilities may be appropriate. Small laboratory quantities should be consolidated and handled through institutional hazardous waste programs. Always prevent environmental release during disposal processes.
How to transport N-[4-[(2Z)-4-cyano-2-(furan-2-ylmethylidene)-5-oxofuran-3-yl]phenyl]butane-1-sulfonamide?
N-[4-[(2Z)-4-cyano-2-(furan-2-ylmethylidene)-5-oxofuran-3-yl]phenyl]butane-1-sulfonamide is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transport. This classification requires appropriate packaging, labeling, and documentation according to dangerous goods regulations. Packages must display proper shipping names, UN numbers, and hazard labels. Transport vehicles need appropriate placarding and emergency equipment. Drivers require ADR training certification. Shipments must include transport documents and emergency response information. Air and sea transport follow IATA and IMDG codes respectively.
Is N-[4-[(2Z)-4-cyano-2-(furan-2-ylmethylidene)-5-oxofuran-3-yl]phenyl]butane-1-sulfonamide subject to specific regulations?
N-[4-[(2Z)-4-cyano-2-(furan-2-ylmethylidene)-5-oxofuran-3-yl]phenyl]butane-1-sulfonamide is subject to various European regulations including REACH registration requirements and CLP classification as Aquatic Acute 1 and Aquatic Chronic 1. It is not currently listed as a SVHC (Substance of Very High Concern). The compound must be handled according to environmental protection standards due to its aquatic toxicity. Import/export may require notifications under chemical control regulations. Users must maintain safety data sheets and implement appropriate risk management measures per REACH obligations.
Where to buy N-[4-[(2Z)-4-cyano-2-(furan-2-ylmethylidene)-5-oxofuran-3-yl]phenyl]butane-1-sulfonamide in Europe?
N-[4-[(2Z)-4-cyano-2-(furan-2-ylmethylidene)-5-oxofuran-3-yl]phenyl]butane-1-sulfonamide is available through OYSI, a specialized European distributor of technical chemicals and research compounds. OYSI provides reliable supply chains for pharmaceutical intermediates and specialty chemicals across Europe, ensuring proper regulatory compliance and quality standards. As a research chemical with specific handling requirements, procurement typically requires technical consultation to ensure appropriate packaging, documentation, and delivery conditions. Contact OYSI directly for availability, specifications, and regulatory support for your specific application requirements.
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N-[4-[(2Z)-4-cyano-2-(furan-2-ylmethylidene)-5-oxofuran-3-yl]phenyl]butane-1-sulfonamide 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.