2-[4-[4-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfonylethyl-dimethylazanium;phosphenic acid
C19H24ClN3O5PS+
Consulting for 2-[4-[4-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfonylethyl-dimethylazanium;phosphenic acid
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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 structure featuring antimicrobial and herbicidal properties. This specialized chemical compound represents an advanced organophosphorus derivative combining a pyrazoline ring system with a phosphenic acid moiety. With its molecular formula C19H24ClN3O5PS+ and molecular weight of 472.9 g/mol, this substance exhibits unique structural characteristics that contribute to its biological activity profile. The presence of the 4-chlorophenyl substituent on the pyrazoline ring enhances its stability and bioactivity, while the sulfonylethyl-dimethylazanium group provides water solubility characteristics essential for various applications. The compound is classified under ADR Class 9 (miscellaneous dangerous substances) and carries GHS pictograms GHS07 and GHS09, indicating eye irritation potential and aquatic environmental hazards. Safety considerations include Eye Irritation Category 2 and Aquatic Acute/Chronic toxicity Category 1, requiring appropriate handling protocols and environmental protection measures during use and disposal. Primary industrial applications include agricultural formulations as an active ingredient in selective herbicides, particularly for crop protection in cereal cultivation. The compound also finds use in specialized antimicrobial formulations for industrial water treatment systems and as an intermediate in pharmaceutical synthesis. Its structural complexity differs significantly from simpler compounds like N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline, which represents a different class of herbicidal actives with distinct mechanism of action. Quality-assured supplies of 2-[4-[4-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfonylethyl-dimethylazanium;phosphenic acid are available through OYSI's European distribution network, supporting research institutions and industrial manufacturers requiring this specialized organophosphorus compound.
Safety & Classification
Eye Irrit. 2; Aquatic Acute 1; Aquatic Chronic 1
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
Eye Contact
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 Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | 2-(4-(3-(4-Chlorphenyl)-4,5-dihydropyrazolyl)-phenylsufonyl)-ethyldimethylammoniumhydrogenphosphonat |
| Marine Pollutant | No |
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 compound with CAS number 106359-93-7 and molecular formula C19H24ClN3O5PS+. This chemical substance has a molecular weight of 472.9 g/mol and contains pyrazoline and sulfonyl functional groups. It is classified as an eye irritant and poses environmental hazards to aquatic life, requiring careful handling and storage procedures 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 cationic organic salt with a molecular weight of 472.9 g/mol and contains chlorine, nitrogen, sulfur, and phosphorus atoms within its structure. The presence of ionic groups suggests good water solubility, while the aromatic rings and chlorophenyl moiety contribute to its stability. The compound's complex structure with multiple functional groups influences its physical properties, though specific data on melting point, boiling point, and exact solubility parameters would require analytical testing.
What is 2-[4-[4-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfonylethyl-dimethylazanium;phosphenic acid used for?
This compound serves as a specialized chemical intermediate in pharmaceutical and agrochemical synthesis due to its unique pyrazoline structure combined with sulfonyl and phosphenic acid functionalities. The chlorophenyl group and ionic nature make it valuable for developing bioactive molecules, particularly in medicinal chemistry research. Its complex structure suggests applications in advanced organic synthesis where specific molecular interactions and chemical reactivity patterns are required for targeted compound development.
How to handle 2-[4-[4-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfonylethyl-dimethylazanium;phosphenic acid safely?
Safety handling requires wearing appropriate personal protective equipment including safety goggles to prevent eye irritation, as the compound is classified as Eye Irritant Category 2. Use chemical-resistant gloves, laboratory coats, and work in well-ventilated areas to minimize exposure risks. Avoid direct contact with skin and eyes, and prevent release into the environment due to its aquatic toxicity classification. Always follow good laboratory practices and ensure proper ventilation when handling this chemical substance.
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 tightly sealed containers in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Given its ionic nature and potential moisture sensitivity, maintain low humidity storage conditions and use moisture-proof packaging. Keep away from incompatible materials and ensure secondary containment to prevent environmental release due to its aquatic toxicity. Label containers clearly and store in designated chemical storage areas with appropriate safety measures and spill control equipment readily available.
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?
Immediate eye contact requires thorough rinsing with clean water for at least 15 minutes, removing contact lenses if easily removable, and seeking medical attention due to the Eye Irritant Category 2 classification. For skin contact, wash affected area with soap and water. If inhaled, move to fresh air immediately. In case of ingestion, do not induce vomiting and seek medical advice. Remove contaminated clothing and wash before reuse to prevent further exposure.
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, national, and international environmental regulations due to the compound's Aquatic Acute Category 1 and Aquatic Chronic Category 1 classifications. Contact licensed waste management companies specializing in hazardous chemical disposal and never release into waterways or environment. Collect waste in appropriate containers, label clearly, and maintain disposal documentation. Consider incineration at authorized facilities capable of handling chlorinated organic compounds while meeting emission standards and environmental protection requirements.
How to transport 2-[4-[4-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfonylethyl-dimethylazanium;phosphenic acid?
Transportation follows ADR Class 9 (Miscellaneous dangerous goods) Packing Group III regulations, indicating moderate hazard level during transport. Use appropriate UN-approved packaging designed for Class 9 substances and ensure proper labeling with hazard markings and emergency contact information. Transport vehicles must carry appropriate documentation and emergency response procedures. Drivers should be trained in handling hazardous materials and emergency response protocols specific to environmentally hazardous substances to prevent environmental contamination during transport incidents.
Is 2-[4-[4-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfonylethyl-dimethylazanium;phosphenic acid subject to specific regulations?
This compound is subject to REACH regulation requirements in Europe and must comply with CLP classification as Eye Irritant Category 2 and environmental hazard categories. It requires appropriate GHS07 and GHS09 hazard pictograms and 'Warning' signal word on labeling. The substance is not currently identified as SVHC (Substance of Very High Concern). Companies must maintain safety data sheets, ensure proper classification, and follow environmental protection measures due to its aquatic toxicity classification under European chemical legislation.
Where to buy 2-[4-[4-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfonylethyl-dimethylazanium;phosphenic acid in Europe?
OYSI serves as a reliable European distributor for this specialized chemical compound, offering professional-grade quality and regulatory compliance documentation. As an established chemical distributor, OYSI provides proper handling guidance, safety data sheets, and ensures transportation compliance with ADR regulations. Contact OYSI directly for availability, technical specifications, and delivery options across European markets. Their expertise in chemical distribution ensures proper packaging, documentation, and regulatory compliance for safe delivery to research and industrial facilities.
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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.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.