4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide
C13H13ClN4O2S
Consulting for 4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide
Our experts support you with application, dosage, and compliance.
Identification
- CAS Number
- 120116-88-3
- UN Number
- 3077
- Index Number
- 616-166-00-8
- PubChem CID
- 9862076
Physical-chemical properties
- Molecular Formula
- C13H13ClN4O2S
- Molar Mass
- 324.79 g/mol
- IUPAC Name
- 4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide
Chemical Identifiers
- InChI
- InChI=1S/C13H13ClN4O2S/c1-9-4-6-10(7-5-9)12-13(14)16-11(8-15)18(12)21(19,20)17(2)3/h4-7H,1-3H3
- InChI Key
- YXKMMRDKEKCERS-UHFFFAOYSA-N
Overview
4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide (CAS 120116-88-3) is a specialized imidazole-based sulfonamide compound with significant aquatic toxicity characteristics. This complex heterocyclic compound belongs to the imidazole sulfonamide family and presents a unique molecular structure combining multiple functional groups including a chlorinated imidazole ring, a cyano group, and a dimethylsulfonamide moiety. With its molecular formula C13H13ClN4O2S and molecular weight of 324.79 g/mol, this substance demonstrates the sophisticated chemistry typical of modern pharmaceutical and agrochemical intermediates. The compound exhibits notable environmental hazard properties, classified under Aquatic Acute 1 and Aquatic Chronic 1 categories, requiring careful handling and disposal protocols. The GHS09 pictogram and "Warning" signal word indicate its potential for serious environmental damage, particularly to aquatic ecosystems. Unlike simpler organic compounds such as copper(1+) thiocyanate, this molecule's complex structure contributes to its persistent environmental behavior. Primary industrial applications include pharmaceutical intermediate synthesis, agrochemical development, and specialized research applications where imidazole-based compounds are essential. The presence of both electron-withdrawing groups (chlorine, cyano) and electron-donating substituents makes it valuable in medicinal chemistry for developing bioactive molecules. Its sulfonamide functionality also positions it within antimicrobial research contexts. Transportation falls under ADR Class 9 (miscellaneous dangerous goods), reflecting its specialized handling requirements during logistics operations. The compound's stability profile and reactivity patterns make it suitable for various synthetic transformations in controlled industrial environments. OYSI maintains reliable supply chains for this specialized chemical compound, supporting European manufacturers requiring high-quality imidazole sulfonamide intermediates for their production processes.
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 | Cyazofamid (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is 4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide?
4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide is a synthetic organic compound with the molecular formula C13H13ClN4O2S and CAS number 120116-88-3. This imidazole derivative has a molecular weight of 324.79 g/mol and contains chlorine, cyano, and sulfonamide functional groups. The compound is classified as hazardous to the aquatic environment and requires careful handling in industrial applications.
What are the physicochemical properties of 4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide?
4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide is a solid compound at room temperature with a molecular weight of 324.79 g/mol. The presence of polar functional groups (cyano and sulfonamide) along with aromatic rings suggests moderate polarity. The chlorine substitution and imidazole ring contribute to its chemical stability. Specific physical properties like melting point, color, and solubility data would require detailed analytical characterization for precise determination.
What is 4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide used for?
4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide is primarily used in pharmaceutical and agrochemical research applications. The compound's imidazole core and sulfonamide functionality make it valuable as an intermediate in organic synthesis and drug development. Its specific structure suggests potential applications in developing bioactive compounds, though exact commercial uses depend on ongoing research and regulatory approvals in various industries.
How to handle 4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide safely?
4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide requires careful handling due to its aquatic toxicity classification. Use appropriate personal protective equipment including safety glasses, gloves, and lab coats. Work in well-ventilated areas or under fume hoods to avoid inhalation. Prevent environmental release as it poses acute and chronic hazards to aquatic life. Follow standard laboratory safety protocols and consult the safety data sheet for specific handling requirements.
How to store 4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide correctly?
4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide should be stored in a cool, dry place away from direct sunlight and heat sources. Keep containers tightly sealed to prevent moisture absorption and contamination. Store away from incompatible materials and ensure proper labeling with hazard information. Use secondary containment to prevent environmental release given its aquatic toxicity. Follow local regulations for chemical storage and maintain inventory records.
What to do in case of contact with 4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide?
In case of contact with 4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide, immediately remove contaminated clothing and flush affected skin or eyes with plenty of water for at least 15 minutes. If inhaled, move to fresh air immediately. Seek medical attention if irritation persists or symptoms develop. Do not induce vomiting if ingested. Contact emergency services if serious exposure occurs and always consult the safety data sheet for detailed first aid measures.
How to dispose of 4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide properly?
4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide must be disposed of through licensed hazardous waste management facilities due to its aquatic toxicity classification. Never discharge into sewers, waterways, or soil as it poses environmental hazards. Collect waste in appropriate containers and label clearly. Follow local and national waste regulations including the European Waste Framework Directive. Consider incineration at authorized facilities as a disposal method for organic compounds.
How to transport 4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide?
4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide is classified as ADR Class 9 (miscellaneous dangerous goods), Packing Group III for transport purposes. Use appropriate packaging that meets UN specifications and ensure proper labeling with hazard markings. Transport documents must include the correct shipping name and UN number. Follow ADR regulations for road transport in Europe and ensure drivers have appropriate training for handling Class 9 materials.
Is 4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide subject to specific regulations?
4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide is subject to CLP regulation classification as Aquatic Acute 1 and Aquatic Chronic 1 with Warning signal word. It requires GHS09 pictogram labeling for environmental hazards. The compound is not currently listed as an SVHC under REACH regulation. Users must comply with standard chemical safety requirements, environmental protection measures, and workplace health regulations applicable to hazardous substances in their jurisdiction.
Where to buy 4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide in Europe?
4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide is available through OYSI, a European distributor of specialty chemicals. OYSI provides reliable supply chain solutions for research and industrial customers across Europe. Contact OYSI directly for availability, specifications, and technical support. As a specialized compound, availability may be subject to minimum order quantities and lead times. Ensure your application complies with local regulations before ordering.
Services for 4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide
Order 4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide
Fast delivery across Europe
SDS Service
Request Safety Data Sheet for 4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide
Technical Consulting
Application advice for 4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide
REACH Safety Data Sheet
REACH Compliance Service
Digital Product Passport
EU-compliant product documentation
ADR Consulting for 4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide
4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-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.