2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylethanamine
C19H22ClN3O2S
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Identification
- CAS Number
- 10357-99-0
- EC Number
- 401-410-6
- UN Number
- 3077
- Index Number
- 613-073-00-4
- PubChem CID
- 82580
Physical-chemical properties
- Molecular Formula
- C19H22ClN3O2S
- Molar Mass
- 391.90 g/mol
- IUPAC Name
- 2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylethanamine
Chemical Identifiers
- InChI
- InChI=1S/C19H22ClN3O2S/c1-22(2)13-14-26(24,25)18-9-7-17(8-10-18)23-12-11-19(21-23)15-3-5-16(20)6-4-15/h3-10H,11-14H2,1-2H3
- InChI Key
- UOOLKMBHYQVDNO-UHFFFAOYSA-N
Overview
2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylethanamine (CAS 10357-99-0) is an organosulfur compound with pyrazoline ring structure and tertiary amine functionality. This complex heterocyclic compound belongs to a class of specialized organic chemicals featuring a distinctive molecular architecture that combines multiple functional groups within a single structure. With the molecular formula C19H22ClN3O2S and a molecular weight of 391.9 g/mol, this substance exhibits unique chemical properties due to its integrated chlorophenyl, dihydropyrazol, phenylsulfonyl, and dimethylethylamine moieties. The compound presents specific safety considerations requiring careful handling protocols. Classified under GHS pictograms GHS08, GHS07, and GHS09 with a "Warning" signal word, it demonstrates potential for specific target organ toxicity following repeated exposure (STOT RE 2), skin sensitization properties (Skin Sens. 1), and chronic aquatic toxicity (Aquatic Chronic 2). Its ADR Class 9 classification indicates it requires special transport considerations as a miscellaneous dangerous substance. From a structural perspective, this compound shares certain characteristics with other sulfonamide derivatives such as 6-amino-N-methylnaphthalene-2-sulfonamide, though its pyrazoline ring system provides distinct chemical behavior. The presence of the chlorophenyl group enhances its stability and influences its reactivity profile, making it suitable for specialized industrial applications. Primary industrial applications include use as an intermediate in pharmaceutical synthesis, specialty chemical manufacturing, and research applications where its unique structural features provide specific chemical properties. The compound may also serve in materials science applications requiring precise molecular architecture. OYSI maintains reliable supply chains for this specialized chemical compound, ensuring consistent availability for European industrial customers requiring high-quality technical grade materials.
Safety & Classification
STOT RE 2 *; Skin Sens. 1; Aquatic Chronic 2
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
Skin Contact
Measures if substance contacts the skin
First Aid Actions
- +P302IF ON SKIN:
- +P352Wash with plenty of water.
- +P361Take off immediately all contaminated clothing.
- +P313Get medical advice/attention.
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,N-Dimethyl-2-(3-(4-chlorphenyl)-4,5-dihydropyrazol-1-ylphenylsulfonyl)ethylamin |
| Marine Pollutant | No |
Frequently Asked Questions
What is 2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylethanamine?
2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylethanamine is an organic chemical compound with the molecular formula C19H22ClN3O2S and CAS number 10357-99-0. This complex molecule contains a pyrazoline ring system with a chlorophenyl substituent and a sulfonyl-linked dimethylaminoethyl group. With a molecular weight of 391.9 g/mol, it belongs to the class of heterocyclic compounds and requires careful handling due to its classification as a skin sensitizer and specific target organ toxicant.
What are the physicochemical properties of 2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylethanamine?
The compound has a molecular weight of 391.9 g/mol and molecular formula C19H22ClN3O2S. As a complex organic molecule containing both polar (sulfonyl, amine) and nonpolar (chlorophenyl) groups, it likely exhibits moderate polarity. The presence of the chlorine atom and aromatic rings suggests limited water solubility, while the dimethylamino group may provide some degree of water miscibility. Specific physical properties such as melting point, boiling point, and exact solubility data would require experimental determination or detailed technical specifications.
What is 2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylethanamine used for?
This compound is primarily used in pharmaceutical research and development, particularly in the synthesis of bioactive molecules and drug intermediates. Its complex structure containing pyrazoline and sulfonyl functionalities makes it valuable for medicinal chemistry applications. It may serve as a building block for developing compounds with potential therapeutic properties, including anti-inflammatory or antimicrobial activities. The compound is also utilized in academic research for studying structure-activity relationships and in the development of new chemical synthetic methodologies.
How to handle 2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylethanamine safely?
Safe handling requires appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing due to its Skin Sens. 1 classification. Work should be conducted in a well-ventilated area or under a fume hood to prevent inhalation exposure, as the compound is classified as STOT RE 2. Avoid direct skin contact and ensure proper hygiene practices. Use non-sparking tools and equipment, and maintain clean work surfaces. Always consult the safety data sheet before handling and ensure personnel are trained in proper chemical handling procedures.
How to store 2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylethanamine correctly?
Store the compound in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Use tightly sealed, chemically compatible containers to prevent moisture absorption and contamination. Keep away from incompatible materials such as strong oxidizing agents and bases. Maintain storage temperature below 25°C and ensure proper labeling with hazard information. Store in a designated chemical storage area with appropriate fire suppression systems and ensure containers are regularly inspected for damage or leakage. Follow local regulations for chemical storage.
What to do in case of contact with 2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylethanamine?
In case of skin contact, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes due to the skin sensitization risk. For eye contact, rinse immediately with clean water for 15-20 minutes and seek medical attention. If inhaled, move the person to fresh air and seek medical advice if breathing difficulties occur. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for specific first aid measures and contact emergency services if severe symptoms develop.
How to dispose of 2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylethanamine properly?
Disposal must be conducted according to local and national hazardous waste regulations due to its environmental and health classifications. The compound should be collected in appropriate hazardous waste containers and disposed of through licensed waste management facilities. Do not dispose of in regular trash, down drains, or into the environment due to its Aquatic Chronic 2 classification. Contact certified waste disposal companies for proper collection and treatment. Maintain waste disposal records and ensure compliance with REACH and local environmental protection regulations. Consider waste minimization strategies during use.
How to transport 2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylethanamine?
The compound is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III, indicating it requires special transport considerations. Use appropriate UN-specification packaging and ensure proper labeling with Class 9 hazard labels. Transport vehicles must carry appropriate emergency response information and comply with ADR routing restrictions. Drivers must be trained in hazardous materials transport. Ensure packages are secured to prevent damage during transport and avoid extreme temperatures. Documentation must include proper shipping names, hazard classes, and emergency contact information as required by international transport regulations.
Is 2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylethanamine subject to specific regulations?
The compound is subject to REACH regulation requirements for registration, evaluation, and authorization in Europe, though it is not currently listed as a Substance of Very High Concern (SVHC). It must comply with CLP regulation for classification, labeling, and packaging as indicated by its GHS08, GHS07, and GHS09 pictograms. Transport is regulated under ADR as Class 9 dangerous goods. Users must maintain safety data sheets, conduct risk assessments, and implement appropriate control measures. Regular monitoring of regulatory updates is recommended as classification requirements may change.
Where to buy 2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylethanamine in Europe?
OYSI serves as a reliable European distributor for this specialized chemical compound, offering professional supply chain management and technical support. As an established chemical distributor, OYSI ensures proper handling, storage, and documentation compliance with European regulations. The company provides comprehensive safety data sheets and can assist with regulatory requirements for REACH compliance. Contact OYSI directly for availability, specifications, and pricing information. Their expertise in hazardous materials handling ensures safe delivery and proper documentation for research and industrial applications across European markets.
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2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylethanamine 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.