2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylethanamine;formic acid

C20H24ClN3O4S

CAS133514-97-3
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
133514-97-3
EC Number
402-120-2
UN Number
3261
Index Number
613-083-00-9
PubChem CID
164343

Physical-chemical properties

Molecular Formula
C20H24ClN3O4S
Molar Mass
437.90 g/mol
IUPAC Name
2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylethanamine;formic acid

Chemical Identifiers

InChI
InChI=1S/C19H22ClN3O2S.CH2O2/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;2-1-3/h3-10H,11-14H2,1-2H3;1H,(H,2,3)
InChI Key
GVXDVYLLHYOCBM-UHFFFAOYSA-N

Overview

2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylethanamine;formic acid (CAS 133514-97-3) is a complex organic compound featuring pyrazoline and sulfonamide functional groups with significant safety considerations. This specialized chemical compound represents a sophisticated molecular structure combining multiple functional groups including a chlorinated phenyl ring, a dihydropyrazole moiety, and a sulfonyl-linked dimethylaminoethane chain stabilized with formic acid. With a molecular formula of C20H24ClN3O4S and molecular weight of 437.9 g/mol, this substance exhibits complex chemical behavior requiring careful handling protocols. The compound presents significant safety hazards, classified under multiple GHS categories including skin corrosion (1B), skin sensitization (1), specific target organ toxicity with repeated exposure (STOT RE 2), and acute and chronic aquatic toxicity. These classifications necessitate stringent handling procedures, appropriate personal protective equipment, and controlled storage conditions. The presence of GHS pictograms GHS08, GHS05, GHS07, and GHS09 with the signal word "Danger" emphasizes the critical importance of proper safety protocols during transport and use. Industrial applications typically involve specialized chemical synthesis processes where the unique structural properties of this pyrazoline derivative provide specific reactivity characteristics. The compound may serve as an intermediate in pharmaceutical synthesis or as a specialized reagent in organic chemistry applications. Unlike simpler compounds such as (Z)-octadec-9-en-1-amine, this complex molecule requires specialized handling expertise and controlled environmental conditions. The ADR Class 8 classification indicates corrosive properties requiring specialized transport arrangements and documentation. OYSI maintains technical expertise and regulatory compliance capabilities to support European customers requiring access to this specialized chemical compound through our established distribution network.

Safety & Classification

Danger
Classification:

STOT RE 2 *; Skin Corr. 1B; Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H373

May cause damage to organs through prolonged or repeated exposure.

H314

Causes severe skin burns and eye damage.

H317

May cause an allergic skin reaction.

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

Skin Contact

Harmful

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:

Eye Contact

Harmful

Measures if substance gets into the eyes

First Aid Actions

  • +P305IF IN EYES:
  • +P351Rinse cautiously with water for several minutes.
  • +P338Remove contact lenses, if present and easy to do. Continue rinsing.
  • +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 Number3261
ADR Class8
Packing GroupII
Tunnel CodeE
Proper Shipping Name2-(4-(3-(4-Chlorphenyl)-2-pyrazolin-1-yl)phenylsulfonyl)ethyldimethylammoniumformiat
Marine PollutantNo

Frequently Asked Questions

What is 2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylethanamine;formic acid?

2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N,N-dimethylethanamine;formic acid is an organic chemical compound with the molecular formula C20H24ClN3O4S and CAS number 133514-97-3. This substance has a molecular weight of 437.9 g/mol and contains a chlorophenyl group, a dihydropyrazol ring, and a sulfonyl functional group. It is classified as a dangerous substance requiring careful handling due to its corrosive and sensitizing properties.

What are the physicochemical properties of 2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylethanamine;formic acid?

This compound is a complex organic molecule with a molecular weight of 437.9 g/mol and the molecular formula C20H24ClN3O4S. The presence of formic acid in the formulation suggests it may exist as a salt or complex. The compound contains multiple functional groups including aromatic rings, a sulfonyl group, and amine functionality. Specific physical properties such as melting point, boiling point, and solubility data are not readily available and would require laboratory analysis.

What is 2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylethanamine;formic acid used for?

This compound is primarily used in specialized industrial and research applications due to its complex molecular structure containing pyrazol and sulfonyl groups. The specific applications depend on its biological activity and chemical properties. Given its structural characteristics, it may be utilized in pharmaceutical research, chemical synthesis, or as an intermediate in the production of other specialized chemicals. Professional users should consult technical documentation for specific application guidance.

How to safely handle 2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylethanamine;formic acid?

Safe handling requires comprehensive personal protective equipment due to its Skin Corr. 1B and Skin Sens. 1 classifications. Essential PPE includes chemical-resistant gloves, safety goggles, face protection, and protective clothing. Work must be conducted in well-ventilated areas or under fume extraction. Avoid direct contact with skin, eyes, and respiratory system. Implement proper hygiene measures including washing hands thoroughly after handling. Emergency shower and eyewash stations should be readily accessible.

How to properly store 2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylethanamine;formic acid?

Storage must be in a cool, dry, well-ventilated area away from incompatible materials and ignition sources. The container should be kept tightly closed and properly labeled according to GHS requirements. Given its corrosive nature (Skin Corr. 1B), use corrosion-resistant storage containers and secondary containment. Store away from bases, metals, and oxidizing agents. Implement appropriate security measures to prevent unauthorized access and ensure compliance with local chemical storage regulations.

What to do in case of contact with 2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylethanamine;formic acid?

Immediate action is critical due to the substance's corrosive properties. For skin contact, immediately remove contaminated clothing and flush affected area with copious amounts of water for at least 15 minutes. For eye contact, rinse immediately with water for at least 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. Seek immediate medical attention in all cases of exposure. Do not induce vomiting if swallowed. Contact emergency services if severe symptoms develop.

How to properly dispose of 2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylethanamine;formic acid?

Disposal must comply with local, national, and EU waste regulations due to its hazardous classification. The substance cannot be disposed of in regular waste streams due to its corrosive and aquatic toxicity properties. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Contaminated containers and materials must also be treated as hazardous waste. Maintain proper documentation of disposal activities and ensure compliance with REACH and waste framework directive requirements.

How to transport 2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylethanamine;formic acid?

Transportation is regulated under ADR Class 8 (corrosive substances), Packing Group II, indicating moderate danger level. Packages must be properly labeled with appropriate hazard labels and UN identification numbers. Use approved packaging materials suitable for corrosive substances. Transport vehicles must comply with ADR requirements including proper placarding and equipment. Drivers must possess valid ADR certification for Class 8 materials. Ensure proper documentation including transport documents and emergency response information accompanies shipments.

Is 2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylethanamine;formic acid subject to specific regulations?

Yes, this substance is subject to comprehensive EU chemical regulations including REACH registration requirements and CLP classification obligations. It is not currently identified as a Substance of Very High Concern (SVHC). Companies must comply with safety data sheet requirements, proper labeling with GHS pictograms (GHS05, GHS07, GHS08, GHS09), and workplace exposure controls. Import/export may require additional notifications. Users must implement appropriate risk management measures according to exposure scenarios provided by suppliers.

Where to buy 2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylethanamine;formic acid in Europe?

OYSI is a reliable European distributor for this specialized chemical compound, offering professional-grade products to industrial and research customers. As an established chemical distributor, OYSI ensures proper documentation, safety data sheets, and regulatory compliance for all shipments. Contact OYSI directly for availability, specifications, and technical support. Given the specialized nature of this compound, advance ordering may be required. OYSI provides comprehensive customer support including regulatory guidance and safe handling recommendations.

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2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylethanamine;formic acid 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.