2-[4-[4-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfonylethyl-dimethylazanium;phosphenic acid

C19H24ClN3O5PS+

CAS106359-93-7
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Warning

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Identification

CAS Number
106359-93-7
UN Number
3077
Index Number
613-084-00-4
PubChem CID
162420570

Physical-chemical properties

Molecular Formula
C19H24ClN3O5PS+
Molar Mass
472.90 g/mol
IUPAC Name
2-[4-[4-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfonylethyl-dimethylazanium;phosphenic acid

Chemical Identifiers

InChI
InChI=1S/C19H22ClN3O2S.HO3P/c1-23(2)11-12-26(24,25)17-9-5-15(6-10-17)19-18(13-21-22-19)14-3-7-16(20)8-4-14;1-4(2)3/h3-10,18,21H,11-13H2,1-2H3;(H,1,2,3)/p+1
InChI Key
STLBTFWDKYNHTG-UHFFFAOYSA-O

Overview

2-[4-[4-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfonylethyl-dimethylazanium;phosphenic acid (CAS 106359-93-7) is a complex organophosphorus compound with pyrazoline and sulfonyl functional groups. This specialized chemical compound represents a sophisticated organophosphorus derivative featuring multiple functional groups including a pyrazoline ring system, chlorophenyl substituent, and sulfonylethyl moiety combined with a phosphenic acid component. With a molecular formula of C19H24ClN3O5PS+ and molecular weight of 472.9 g/mol, this substance demonstrates the complexity typical of modern synthetic intermediates used in pharmaceutical and agrochemical applications. The compound's structure incorporates a 4-chlorophenyl group attached to a dihydropyrazole ring, which is further connected to a phenylsulfonyl system. This structural complexity places it in a different category from simpler organochlorine compounds like N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline, though both share aromatic chlorine substitution patterns that influence their chemical behavior. From a safety perspective, this substance is classified as Eye Irritant Category 2 and presents significant aquatic toxicity concerns with both Aquatic Acute 1 and Aquatic Chronic 1 classifications. The warning signal word and associated GHS07 and GHS09 pictograms emphasize the need for appropriate handling protocols and environmental protection measures during storage, handling, and disposal. Primary industrial applications include use as a synthetic intermediate in pharmaceutical manufacturing, particularly for compounds requiring pyrazoline scaffolds, and as a specialized reagent in organic synthesis processes. The compound also finds application in research and development activities focused on heterocyclic chemistry and organophosphorus compound development. OYSI maintains reliable supply chains for this specialized organophosphorus compound, ensuring consistent availability for European industrial customers requiring high-quality synthetic intermediates.

Safety & Classification

Warning
Classification:

Eye Irrit. 2; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H319

Causes serious eye irritation.

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

Eye Contact

Irritant

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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping Name2-(4-(3-(4-Chlorphenyl)-4,5-dihydropyrazolyl)-phenylsufonyl)-ethyldimethylammoniumhydrogenphosphonat
Marine PollutantNo

Frequently Asked Questions

What is 2-[4-[4-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfonylethyl-dimethylazanium;phosphenic acid?

2-[4-[4-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfonylethyl-dimethylazanium;phosphenic acid is a complex organic chemical compound with CAS number 106359-93-7 and molecular formula C19H24ClN3O5PS+. This substance has a molecular weight of 472.9 g/mol and contains chlorophenyl, pyrazol, and sulfonyl functional groups. It is classified as an eye irritant and poses risks to aquatic environments, requiring careful handling in industrial applications.

What are the physicochemical properties of 2-[4-[4-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfonylethyl-dimethylazanium;phosphenic acid?

This compound is a solid organic substance with a molecular weight of 472.9 g/mol and the molecular formula C19H24ClN3O5PS+. The presence of both hydrophilic (sulfonyl, phosphenic acid) and hydrophobic (chlorophenyl) groups suggests moderate solubility characteristics. Its complex structure includes aromatic rings, heteroatoms (nitrogen, phosphorus, sulfur), and ionic character, which influence its physical properties and behavior in different solvents and environmental conditions.

What is 2-[4-[4-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfonylethyl-dimethylazanium;phosphenic acid used for?

This compound is primarily used in specialized chemical applications, likely in pharmaceutical intermediates or agrochemical formulations given its complex pyrazol and chlorophenyl structure. Its specific molecular architecture suggests potential use in research and development, synthetic chemistry, or as a building block in the production of more complex molecules. The presence of multiple functional groups makes it valuable for various chemical transformations and specialized industrial processes.

How to handle 2-[4-[4-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfonylethyl-dimethylazanium;phosphenic acid safely?

Safe handling requires appropriate personal protective equipment including safety goggles to prevent eye contact, as the substance is classified as Eye Irritant Category 2. Wear chemical-resistant gloves, protective clothing, and ensure adequate ventilation in the work area. Avoid direct contact with skin and eyes, and prevent release to the environment due to its aquatic toxicity classification. Handle in well-ventilated areas and follow good laboratory practices to minimize exposure risks.

How to store 2-[4-[4-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfonylethyl-dimethylazanium;phosphenic acid correctly?

Store this compound in a cool, dry, well-ventilated area away from incompatible materials and heat sources. Keep containers tightly closed and properly labeled according to GHS requirements with Warning signal word and appropriate pictograms (GHS07, GHS09). Due to its aquatic toxicity classification, ensure storage areas have appropriate containment measures to prevent environmental release. Store away from water sources and follow local regulations for chemical storage facilities.

What to do in case of contact with 2-[4-[4-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfonylethyl-dimethylazanium;phosphenic acid?

In case of eye contact, immediately flush with plenty of clean water for at least 15 minutes and seek medical attention, as this substance is classified as an eye irritant. For skin contact, wash thoroughly with soap and water. If inhaled, move to fresh air and seek medical attention if symptoms persist. Remove contaminated clothing and wash before reuse. Always consult the safety data sheet for specific first aid measures and seek professional medical advice when necessary.

How to dispose of 2-[4-[4-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfonylethyl-dimethylazanium;phosphenic acid appropriately?

Disposal must comply with local and national hazardous waste regulations due to its classification as Aquatic Acute and Chronic Category 1. Never discharge to sewers, waterways, or soil. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Contaminated packaging should also be treated as hazardous waste. Follow the waste management hierarchy: reduce, reuse where possible, and ensure final disposal through authorized facilities equipped to handle chemically hazardous materials.

How to transport 2-[4-[4-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfonylethyl-dimethylazanium;phosphenic acid?

This substance is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III, indicating it poses relatively lower transport risks compared to higher packing groups. Transport in appropriate UN-specification packaging with proper labeling and documentation. Ensure compliance with ADR regulations for road transport, including proper placarding of vehicles and driver training. Avoid transport during extreme weather conditions and ensure emergency response information is readily available during transport.

Is 2-[4-[4-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfonylethyl-dimethylazanium;phosphenic acid subject to specific regulations?

This substance is not classified as a Substance of Very High Concern (SVHC) under REACH regulation. However, it must comply with CLP regulation for classification, labeling, and packaging due to its hazard classifications (Eye Irritant 2, Aquatic Acute 1, Aquatic Chronic 1). Users must follow occupational exposure limits where applicable and ensure proper risk assessment under REACH. Environmental discharge may be restricted due to its aquatic toxicity classification, requiring compliance with local environmental protection regulations.

Where to buy 2-[4-[4-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfonylethyl-dimethylazanium;phosphenic acid in Europe?

OYSI is a reliable European distributor offering this specialized chemical compound to professional users across Europe. As an established chemical distributor, OYSI provides quality products with proper documentation, safety data sheets, and regulatory compliance support. Contact OYSI directly for availability, technical specifications, and ordering information. Their expertise in chemical distribution ensures proper handling, packaging, and delivery while meeting all European regulatory requirements for specialized chemical products.

Services for 2-[4-[4-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfonylethyl-dimethylazanium;phosphenic acid

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2-[4-[4-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfonylethyl-dimethylazanium;phosphenic 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.