4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide

C13H13ClN4O2S

CAS120116-88-3
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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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 notable aquatic toxicity properties and industrial applications. This chlorinated imidazole derivative features a complex molecular structure incorporating a cyano group, dimethyl sulfonamide functionality, and a methylphenyl substituent, resulting in a molecular formula of C13H13ClN4O2S with a molecular weight of 324.79 g/mol. The compound belongs to the broader family of heterocyclic sulfonamides, which are valued in various industrial processes for their unique chemical reactivity and stability characteristics. From a safety perspective, this substance requires careful handling due to its classification as Aquatic Acute 1 and Aquatic Chronic 1, indicating significant environmental hazards to aquatic ecosystems. The compound carries a Warning signal word and displays the GHS09 pictogram, emphasizing its environmental impact concerns. Transportation falls under ADR Class 9 (miscellaneous dangerous substances), reflecting its specific handling requirements during shipping and storage. The compound's specialized structure makes it particularly valuable in pharmaceutical intermediate synthesis and advanced chemical manufacturing processes. Its imidazole core and sulfonamide functionality provide versatility in organic synthesis applications, while the chloro and cyano substituents offer additional reaction sites for further chemical modifications. Unlike simpler compounds such as copper(1+) thiocyanate, this molecule's complexity enables more sophisticated applications in specialized industrial processes. Industrial applications typically include use as a chemical intermediate in pharmaceutical development, specialty chemical synthesis, and research applications requiring precise molecular architecture. The compound's unique combination of functional groups makes it suitable for developing advanced materials and specialized chemical products. OYSI maintains reliable supply chains for this specialized chemical compound, ensuring consistent availability for European industrial customers requiring high-quality heterocyclic sulfonamide derivatives.

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 NameCyazofamid (ISO)
Marine PollutantNo

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 features a complex structure containing chlorine, cyano, dimethylamino, methylphenyl, and sulfonamide functional groups. The compound is classified as hazardous to the aquatic environment with both acute and chronic toxicity properties.

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 substance contains multiple polar functional groups including cyano, sulfonamide, and dimethylamino groups, which influence its solubility characteristics. As an imidazole derivative with aromatic substituents, it likely exhibits moderate stability under normal conditions. Specific physical properties such as melting point, color, and exact solubility data should be verified through detailed technical specifications.

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 as an intermediate or specialty chemical in pharmaceutical and agrochemical synthesis. Its complex imidazole structure with multiple functional groups makes it valuable for research and development applications in organic chemistry. The compound may serve as a building block for the synthesis of more complex molecules or as a reagent in specialized chemical processes. Its specific applications depend on the requirements of individual industrial or research projects.

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. Wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume hoods to minimize inhalation exposure. Avoid direct contact with skin and eyes, and prevent release to the environment. Implement proper containment measures and have spill cleanup materials readily available. Follow good laboratory practices and ensure personnel are trained in safe handling procedures.

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, well-ventilated area away from incompatible materials. Keep containers tightly closed and protected from moisture and direct sunlight. Store in original labeled containers in designated chemical storage areas with appropriate secondary containment. Due to its environmental hazard classification, implement measures to prevent accidental release to drains or the environment. Maintain storage temperature within recommended ranges and regularly inspect containers for signs of deterioration or leakage.

What to do in case of contact with 4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide?

In case of skin contact with 4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide, immediately wash the affected area with plenty of soap and water for at least 15 minutes. For eye contact, rinse thoroughly with clean water for at least 15 minutes while holding eyelids open. If inhaled, move the person to fresh air immediately. Remove contaminated clothing and wash before reuse. Seek medical attention if irritation persists or if large amounts were involved. Do not induce vomiting if swallowed and contact a poison control center immediately.

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 disposal facilities due to its aquatic toxicity classification. Never discharge to drains, waterways, or the environment. Contact authorized waste management companies specializing in chemical disposal for proper treatment and destruction. Ensure waste containers are properly labeled with contents and hazard information. Follow local, national, and EU regulations including the Waste Framework Directive. Maintain disposal records and certificates of destruction as required by environmental regulations.

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 Substances), Packing Group III for transportation. Use appropriate UN specification packaging and ensure proper labeling with GHS09 environmental hazard pictogram and 'Warning' signal word. Transport vehicles must carry appropriate emergency response information and comply with ADR routing restrictions. Drivers require ADR training certification for Class 9 materials. Implement measures to prevent environmental release during transport and ensure emergency response procedures are readily available in case of accidents or spills.

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 EU REACH and CLP regulations requiring proper classification, labeling, and safety data sheets. The compound is classified as Aquatic Acute 1 and Aquatic Chronic 1 under CLP, requiring GHS09 pictogram and 'Warning' signal word. It is not currently listed as a Substance of Very High Concern (SVHC). Companies must comply with registration requirements under REACH if manufacturing or importing above threshold quantities. Additional restrictions may apply depending on specific uses and local environmental protection regulations.

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 specialized European distributor of technical and specialty chemicals. OYSI provides comprehensive supply chain solutions with proper regulatory compliance, documentation, and quality assurance for industrial and research applications. Contact OYSI directly for availability, specifications, and procurement details. As a specialized chemical, availability may vary and lead times should be confirmed. Ensure your organization has appropriate handling capabilities and regulatory compliance before ordering this environmentally hazardous substance.

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Data Sources

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