N-[4-[(2Z)-4-cyano-2-(furan-2-ylmethylidene)-5-oxofuran-3-yl]phenyl]butane-1-sulfonamide

C20H18N2O5S

CAS130016-98-7
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Warning

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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 furan ring structures and significant aquatic toxicity potential. This specialized chemical compound features a molecular formula of C20H18N2O5S and a molecular weight of 398.4 g/mol. The molecule incorporates multiple functional groups including a sulfonamide moiety, cyano group, and distinctive furan ring systems connected through a phenyl linker. The compound's structural complexity, particularly the Z-configuration double bond and the furan-2-ylmethylidene substituent, contributes to its unique chemical properties and reactivity profile. From a safety perspective, this substance requires careful handling due to its classification as Aquatic Acute 1 and Aquatic Chronic 1, indicating severe toxicity to aquatic life with long-lasting effects. The compound carries the GHS09 environmental hazard pictogram and Warning signal word, emphasizing the need for appropriate environmental protection measures during storage, handling, and disposal. Transportation falls under ADR Class 9 miscellaneous dangerous substances, requiring compliance with specific packaging and documentation requirements. The compound finds applications in specialized chemical synthesis processes, particularly in pharmaceutical intermediate production and advanced materials research. Its complex structure makes it valuable for developing novel therapeutic compounds and as a research tool in organic chemistry laboratories. Unlike simpler compounds such as copper(1+) thiocyanate, this sulfonamide derivative offers unique reactivity patterns suitable for sophisticated synthetic transformations. OYSI maintains reliable supply chains for this specialized chemical, ensuring consistent availability for European industrial and research customers requiring high-purity standards and comprehensive regulatory documentation.

Safety & Classification

Warning
Classification:

Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H400

Very toxic to aquatic life.

H410

Very toxic to aquatic life with long lasting effects.

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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameN-[4-(4-Cyano-2-furfuryliden-2,5-dihydro-5-oxo-3-furyl)phenyl]butan-1-sulfonamid
Marine PollutantNo

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 an organic chemical compound with the molecular formula C20H18N2O5S and CAS number 130016-98-7. This substance has a molecular weight of 398.4 g/mol and features a complex structure containing furan rings, cyano group, and sulfonamide functionality. 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?

This compound is a solid organic substance with a molecular weight of 398.4 g/mol and molecular formula C20H18N2O5S. The presence of both hydrophilic sulfonamide and hydrophobic aromatic groups suggests moderate polarity. The furan rings and cyano functionality contribute to its chemical reactivity. Specific physical properties such as melting point, boiling point, and solubility would require detailed analytical characterization for precise determination.

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 typically used as an intermediate in pharmaceutical synthesis and specialized chemical research. The sulfonamide group suggests potential applications in medicinal chemistry, while the complex aromatic structure makes it suitable for advanced organic synthesis. Its specific applications depend on the target molecules being synthesized and the desired chemical transformations required in industrial processes.

How to safely handle N-[4-[(2Z)-4-cyano-2-(furan-2-ylmethylidene)-5-oxofuran-3-yl]phenyl]butane-1-sulfonamide?

Safe handling requires appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume hoods to prevent inhalation exposure. Given its aquatic toxicity classification (Aquatic Acute 1, Aquatic Chronic 1), prevent environmental release. Use proper containment measures, avoid direct skin contact, and ensure emergency procedures are in place. Training on chemical handling procedures is essential before use.

How to properly store N-[4-[(2Z)-4-cyano-2-(furan-2-ylmethylidene)-5-oxofuran-3-yl]phenyl]butane-1-sulfonamide?

Store this compound in tightly sealed containers in a cool, dry, well-ventilated area away from incompatible materials. Keep containers upright and properly labeled according to GHS requirements with appropriate warning pictograms (GHS09). Maintain storage temperatures below ambient heat and protect from moisture. Ensure storage areas have appropriate containment systems 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 action involves removing contaminated clothing and flushing affected skin or eyes with plenty of water for at least 15 minutes. If inhaled, move the person to fresh air immediately. Do not induce vomiting if swallowed; rinse mouth with water. Seek medical attention promptly, especially for eye contact or ingestion. Keep the safety data sheet available for medical personnel. Prevent further exposure and ensure proper decontamination of affected areas.

How to properly dispose of N-[4-[(2Z)-4-cyano-2-(furan-2-ylmethylidene)-5-oxofuran-3-yl]phenyl]butane-1-sulfonamide?

Disposal must comply with local, national, and EU waste regulations due to its environmental hazard classification. This substance requires treatment as hazardous waste and cannot be disposed of in regular waste streams. Contact licensed waste management companies specializing in chemical disposal. Prevent release to water systems, soil, or atmosphere. Incineration at approved high-temperature facilities may be appropriate. Maintain proper documentation of disposal activities.

How to transport N-[4-[(2Z)-4-cyano-2-(furan-2-ylmethylidene)-5-oxofuran-3-yl]phenyl]butane-1-sulfonamide?

Transport is regulated under ADR classification as Class 9 (Miscellaneous dangerous goods), Packing Group III. Use appropriate UN-specification packaging suitable for Class 9 materials. Shipping documents must include proper shipping names, hazard class, and environmental hazard markings. Vehicles must carry appropriate emergency equipment and drivers need ADR certification. Ensure packages are properly labeled with GHS09 pictograms and environmental hazard symbols.

Is N-[4-[(2Z)-4-cyano-2-(furan-2-ylmethylidene)-5-oxofuran-3-yl]phenyl]butane-1-sulfonamide subject to specific regulations?

This substance is subject to EU REACH and CLP regulations requiring proper registration, classification, and labeling. It is not currently listed as a Substance of Very High Concern (SVHC). Compliance with environmental protection regulations is mandatory due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications. Users must maintain safety data sheets, implement risk management measures, and ensure proper worker training according to occupational safety requirements.

Where to buy N-[4-[(2Z)-4-cyano-2-(furan-2-ylmethylidene)-5-oxofuran-3-yl]phenyl]butane-1-sulfonamide in Europe?

OYSI serves as a reliable European distributor for this specialized chemical compound, offering professional-grade quality suitable for research and industrial applications. As an established chemical distributor, OYSI provides comprehensive documentation including certificates of analysis and safety data sheets. Contact OYSI directly for availability, packaging options, and regulatory compliance support. Their European distribution network ensures efficient delivery while maintaining proper handling and transportation 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.

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Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.