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 specialized pyrazoline-based chemical compound with sulfonamide functionality and corrosive properties. This complex organic molecule represents a sophisticated example of heterocyclic chemistry, featuring a dihydropyrazole ring system substituted with a chlorophenyl group and connected to a sulfonyl-containing side chain. The compound exists as a formic acid salt, which influences both its physical properties and handling requirements. With a molecular formula of C20H24ClN3O4S and molecular weight of 437.9 g/mol, this substance exhibits significant structural complexity that translates into specific industrial applications. The safety profile of this compound requires careful attention, as it is classified under multiple hazard categories including skin corrosion (1B), skin sensitization (1), specific target organ toxicity with repeated exposure (STOT RE 2), and aquatic toxicity (both acute and chronic category 1). The presence of GHS pictograms including GHS08 (health hazard), GHS05 (corrosion), GHS07 (exclamation mark), and GHS09 (environmental) reflects its multi-faceted risk profile. Transportation falls under ADR class 8 (corrosive substances), necessitating specialized handling protocols. Industrial applications typically leverage the compound's unique structural features in pharmaceutical intermediates, specialty chemical synthesis, and research applications where pyrazoline derivatives are required. Unlike simpler compounds such as (Z)-octadec-9-en-1-amine, this molecule's complex architecture makes it valuable for specific synthetic pathways requiring precise functional group positioning. OYSI maintains reliable supply chains for this specialized chemical compound, ensuring consistent availability for qualified industrial customers across European markets.

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-dimethylethanamine;formic acid is an organic chemical compound with CAS number 133514-97-3 and molecular formula C20H24ClN3O4S. This substance has a molecular weight of 437.9 g/mol and contains a pyrazoline ring system with chlorophenyl and sulfonyl functional groups. It is classified as a hazardous 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 formula C20H24ClN3O4S. The presence of formic acid as a salt former suggests it exists as a formate salt, which typically enhances water solubility compared to the free base. The compound contains polar sulfonyl and amine groups alongside aromatic chlorophenyl moieties, influencing its solubility profile and chemical reactivity.

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 as an intermediate in pharmaceutical synthesis and chemical research applications. The pyrazoline structure with chlorophenyl and sulfonyl groups suggests potential use in developing bioactive compounds or pharmaceutical ingredients. Its specific molecular architecture makes it valuable for medicinal chemistry research and as a building block in organic synthesis processes requiring specialized heterocyclic intermediates.

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

Safe handling requires full personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing due to its Skin Corr. 1B classification. Work in well-ventilated areas or fume hoods to prevent inhalation exposure, as it may cause respiratory sensitization. Avoid direct skin contact as the substance can cause severe burns and allergic reactions. Always have emergency shower and eyewash stations readily accessible when handling this material.

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

Store this compound in a cool, dry, well-ventilated area away from incompatible materials such as strong bases and oxidizing agents. Use corrosion-resistant containers with tight-fitting lids due to its corrosive nature. Keep containers properly labeled and segregated from other chemicals. Storage areas should have appropriate containment measures and be accessible only to trained personnel wearing proper protective equipment.

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 required due to the substance's corrosive properties. For skin contact, immediately flush with large amounts of water for at least 15 minutes while removing contaminated clothing. For eye contact, rinse thoroughly with water and seek immediate medical attention. If inhaled, move to fresh air and seek medical help if respiratory symptoms develop. Always consult a physician after any significant exposure incident.

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

Disposal must comply with local and national hazardous waste regulations due to its corrosive and environmentally hazardous classification (Aquatic Acute 1, Aquatic Chronic 1). Contact licensed hazardous waste disposal companies for proper treatment and disposal. Never discharge to sewers or waterways as it poses significant environmental risks. Small quantities may require neutralization before disposal, but this should only be performed by trained professionals following appropriate protocols.

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

This substance is classified as ADR Class 8 (corrosive substances), Packing Group II, requiring specialized packaging and transport procedures. Use appropriate corrosion-resistant packaging that meets UN specification requirements for Class 8 materials. Transport vehicles must display proper hazard placards and carry emergency response information. Only qualified carriers experienced in handling corrosive chemicals should transport this material, following all applicable dangerous goods regulations.

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

This substance is subject to CLP regulation classification requirements and must be labeled with GHS pictograms GHS05, GHS07, GHS08, and GHS09. It requires safety data sheets under REACH regulation for professional users. The compound is not currently listed as a SVHC (Substance of Very High Concern), but its multiple hazard classifications require compliance with occupational health and environmental protection regulations across European jurisdictions.

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 offering this specialized chemical compound to qualified industrial and research customers. As a professional chemical distributor, OYSI ensures proper packaging, documentation, and regulatory compliance for hazardous materials. Contact OYSI directly for availability, technical specifications, and pricing information. Due to the substance's hazardous classification, purchases are typically restricted to qualified professional users with appropriate handling capabilities and facilities.

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

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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.