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 organic sulfonamide compound featuring a chlorinated phenyl-pyrazoline structure with tertiary amine functionality. This complex heterocyclic compound represents a specialized chemical intermediate characterized by its unique structural combination of a pyrazoline ring system, sulfonamide linkage, and dimethylaminoethyl chain. With the molecular formula C19H22ClN3O2S and a molecular weight of 391.9 g/mol, this substance exhibits distinct physicochemical properties that make it valuable for specific industrial applications. The presence of the 4-chlorophenyl substituent and the sulfonyl group contributes to its chemical reactivity and biological activity profile. From a safety perspective, this compound requires careful handling due to its classification under multiple hazard categories. It is designated as a Category 2 specific target organ toxicant following repeated exposure (STOT RE 2), indicating potential health risks with prolonged contact. Additionally, it demonstrates skin sensitization properties (Skin Sens. 1) and presents moderate aquatic toxicity concerns (Aquatic Chronic 2). The associated GHS pictograms (GHS08, GHS07, GHS09) reflect these health and environmental hazards, necessitating appropriate personal protective equipment and environmental controls during handling. The compound shares structural similarities with other sulfonamide derivatives such as 6-amino-N-methylnaphthalene-2-sulfonamide, though it differs significantly in its pyrazoline core structure. Its applications primarily focus on pharmaceutical intermediate synthesis and specialized chemical manufacturing processes where its unique reactivity profile proves advantageous. Industrial applications include use as a synthetic building block in medicinal chemistry, particularly in the development of bioactive compounds, and as an intermediate in the production of specialized agrochemical formulations. Its structural complexity makes it valuable for research and development applications in pharmaceutical laboratories. OYSI maintains reliable supply chains for this specialized chemical intermediate, ensuring consistent availability for qualified industrial customers across European markets.
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 CAS number 10357-99-0. This complex molecule features a pyrazoline ring system connected to a chlorophenyl group and a sulfonyl-linked dimethylaminoethyl chain. With a molecular formula of C19H22ClN3O2S and molecular weight of 391.9 g/mol, it belongs to the class of substituted pyrazoline derivatives used in specialized chemical applications.
What are the physicochemical properties of 2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylethanamine?
The compound presents as an organic solid with a molecular weight of 391.9 g/mol and molecular formula C19H22ClN3O2S. Its structure contains both hydrophobic aromatic rings and a polar sulfonyl group, suggesting moderate solubility characteristics. The presence of the dimethylamino group provides basic properties, while the chlorophenyl and pyrazoline moieties contribute to its overall stability and reactivity profile under standard conditions.
What is 2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylethanamine used for?
This compound is utilized in specialized industrial and research applications, particularly in pharmaceutical intermediates and advanced chemical synthesis. Its complex pyrazoline structure makes it valuable for developing bioactive compounds and specialty chemicals. The presence of multiple functional groups allows for further chemical modifications, making it suitable for custom synthesis projects and specialized manufacturing processes in the pharmaceutical and fine chemical industries.
How to safely handle 2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylethanamine?
Safe handling requires appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing due to its Skin Sens. 1 classification. Work in well-ventilated areas or under fume extraction to minimize inhalation exposure. Avoid direct skin contact and implement proper hygiene measures. Use non-sparking tools and ensure grounding of equipment. Train personnel on emergency procedures and maintain eyewash stations and safety showers in the work area.
How to properly store 2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylethanamine?
Store the compound in a cool, dry, well-ventilated area away from heat sources, direct sunlight, and incompatible materials. Use tightly sealed original containers made of compatible materials. Maintain temperatures within manufacturer specifications and ensure proper segregation from oxidizing agents and strong acids. Implement appropriate fire prevention measures and ensure storage areas comply with local regulations for hazardous substances. Regular inspection of container integrity is recommended.
What to do in case of contact with 2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylethanamine?
Immediate action involves removing contaminated clothing and washing affected skin thoroughly with soap and 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. Seek medical attention promptly, especially for skin sensitization reactions. Never induce vomiting if ingested. Keep the safety data sheet available for medical personnel and contact poison control if necessary.
How to properly dispose of 2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylethanamine?
Disposal must comply with local, national, and EU waste regulations due to its environmental classification as Aquatic Chronic 2. Contact authorized waste management companies for proper disposal through licensed facilities. Do not discharge to sewers, waterways, or soil. Incineration at appropriate high-temperature facilities may be required. Maintain waste documentation and tracking records. Consult with regulatory authorities and waste disposal experts to ensure compliance with all applicable environmental protection laws.
How to transport 2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylethanamine?
Transport follows ADR classification as Class 9 (Miscellaneous dangerous goods), Packing Group III, indicating lower relative danger level. Use appropriate UN-specification packaging designed for Class 9 materials. Ensure proper labeling with GHS pictograms (GHS07, GHS08, GHS09) and hazard information. Transport vehicles must carry appropriate documentation, emergency response information, and comply with routing restrictions. Only use certified dangerous goods transporters familiar with Class 9 requirements.
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 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 occupational safety regulations is mandatory due to its STOT RE 2 and Skin Sens. 1 classifications. Environmental regulations apply given its Aquatic Chronic 2 status. Users must maintain safety data sheets, implement risk assessments, and follow worker protection measures as required by chemical safety legislation.
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 solutions across the EU market. As an established chemical distributor, OYSI provides proper documentation, regulatory compliance support, and technical assistance for industrial customers. Contact OYSI directly for availability, specifications, and delivery options. Their experienced team can assist with regulatory requirements, safety documentation, and logistics coordination to ensure compliant procurement for your specific applications.
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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.