1,2-dimethyl-3,5-diphenylpyrazol-2-ium;methyl sulfate

C18H20N2O4S

CAS43222-48-6
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
43222-48-6
EC Number
256-152-5
UN Number
2588
Index Number
613-056-00-1
PubChem CID
39424

Physical-chemical properties

Molecular Formula
C18H20N2O4S
Molar Mass
360.40 g/mol
IUPAC Name
1,2-dimethyl-3,5-diphenylpyrazol-2-ium;methyl sulfate

Chemical Identifiers

InChI
InChI=1S/C17H17N2.CH4O4S/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15;1-5-6(2,3)4/h3-13H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
InChI Key
XQEMNBNCQVQXMO-UHFFFAOYSA-M

Overview

1,2-dimethyl-3,5-diphenylpyrazol-2-ium;methyl sulfate (CAS 43222-48-6) is a pyrazolium-based quaternary ammonium compound with distinctive electrochemical and antimicrobial properties. This specialized chemical compound, with molecular formula C18H20N2O4S and molecular weight 360.4 g/mol, represents an important class of heterocyclic ionic compounds widely utilized in industrial applications. The pyrazolium cation structure, featuring two phenyl substituents at positions 3 and 5, combined with the methyl sulfate anion, creates a compound with unique solubility characteristics and chemical stability that distinguishes it from related compounds such as dimethoxy-(3-methyl-4-nitrophenoxy)-sulfanylidene-lambda5-phosphane. From a safety perspective, this substance requires careful handling protocols due to its classification as Acute Tox. 4 with aquatic toxicity concerns (Aquatic Acute 1, Aquatic Chronic 1). The compound displays GHS07 and GHS09 pictograms with a "Warning" signal word, indicating moderate acute toxicity and environmental hazards. Its ADR classification as Class 6.1 necessitates appropriate transportation and storage procedures to ensure workplace safety and environmental protection. The compound finds primary applications in electrochemical research and development, particularly in ionic liquid formulations and as an electrolyte component in specialized battery systems. Additionally, its quaternary ammonium structure makes it valuable in antimicrobial formulations and as a phase-transfer catalyst in organic synthesis processes. Industrial applications also extend to specialty coatings and materials science where its unique ionic properties contribute to enhanced performance characteristics. OYSI maintains reliable supply chains for 1,2-dimethyl-3,5-diphenylpyrazol-2-ium;methyl sulfate, ensuring consistent availability for European customers requiring this specialized chemical intermediate.

Safety & Classification

Warning
Classification:

Acute Tox. 4 *; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

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

Ingestion

Harmful

Measures if substance is accidentally swallowed

First Aid Actions

  • +P301IF SWALLOWED:
  • +P330Rinse mouth.
  • +P331Do NOT induce vomiting.
  • +P310Immediately call a POISON CENTER/doctor.

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 Number2588
ADR Class6.1
Packing GroupIII
Tunnel CodeE
Proper Shipping NameDifenzoquatmethylsulfat (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 1,2-dimethyl-3,5-diphenylpyrazol-2-ium;methyl sulfate?

1,2-dimethyl-3,5-diphenylpyrazol-2-ium;methyl sulfate is an organic chemical compound with the molecular formula C18H20N2O4S and CAS number 43222-48-6. This pyrazolium salt has a molecular weight of 360.4 g/mol and features a diphenyl-substituted pyrazole ring structure with methyl sulfate as the counterion. The compound is classified as acutely toxic and environmentally hazardous, requiring careful handling and appropriate safety measures during use.

What are the physicochemical properties of 1,2-dimethyl-3,5-diphenylpyrazol-2-ium;methyl sulfate?

1,2-dimethyl-3,5-diphenylpyrazol-2-ium;methyl sulfate is a solid compound at room temperature with a molecular weight of 360.4 g/mol. As an ionic compound containing a methyl sulfate anion, it typically exhibits good solubility in polar solvents like water and alcohols. The presence of the phenyl groups contributes to its aromatic character, while the pyrazolium cation structure influences its chemical reactivity and stability under various conditions.

What is 1,2-dimethyl-3,5-diphenylpyrazol-2-ium;methyl sulfate used for?

1,2-dimethyl-3,5-diphenylpyrazol-2-ium;methyl sulfate is primarily used as a chemical intermediate in pharmaceutical and fine chemical synthesis. Its pyrazolium structure makes it valuable in organic synthesis reactions, particularly in the development of heterocyclic compounds. The compound may also find applications in materials science and as a reagent in specialized chemical processes where its unique structural properties are advantageous for specific transformations.

How to handle 1,2-dimethyl-3,5-diphenylpyrazol-2-ium;methyl sulfate safely?

Safe handling of 1,2-dimethyl-3,5-diphenylpyrazol-2-ium;methyl sulfate requires appropriate personal protective equipment including safety goggles, chemical-resistant gloves, and protective clothing. Work in well-ventilated areas or under fume hoods to minimize inhalation exposure. The compound's Acute Tox. 4 classification indicates moderate toxicity, so avoid skin contact, ingestion, and inhalation. Use proper handling techniques, keep containers tightly closed, and wash hands thoroughly after use.

How to store 1,2-dimethyl-3,5-diphenylpyrazol-2-ium;methyl sulfate correctly?

Store 1,2-dimethyl-3,5-diphenylpyrazol-2-ium;methyl sulfate in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers tightly sealed to prevent moisture absorption and contamination. Due to its environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1), ensure storage areas have appropriate containment measures to prevent environmental release. Store away from oxidizing agents and maintain proper inventory management with clear labeling.

What to do in case of contact with 1,2-dimethyl-3,5-diphenylpyrazol-2-ium;methyl sulfate?

In case of skin contact with 1,2-dimethyl-3,5-diphenylpyrazol-2-ium;methyl sulfate, immediately wash with plenty of soap and water for at least 15 minutes. If eye contact occurs, rinse thoroughly with water for 15 minutes and seek medical attention. In case of inhalation, move to fresh air immediately. If ingested, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for specific first aid measures and contact emergency services if necessary.

How to dispose of 1,2-dimethyl-3,5-diphenylpyrazol-2-ium;methyl sulfate appropriately?

Dispose of 1,2-dimethyl-3,5-diphenylpyrazol-2-ium;methyl sulfate through licensed hazardous waste disposal facilities in accordance with local, national, and EU regulations. The compound's environmental hazard classification requires special handling to prevent aquatic contamination. Do not discharge into sewers, waterways, or soil. Contaminated packaging should also be treated as hazardous waste. Consult local authorities and waste management companies for specific disposal requirements and approved treatment methods.

How to transport 1,2-dimethyl-3,5-diphenylpyrazol-2-ium;methyl sulfate?

Transport 1,2-dimethyl-3,5-diphenylpyrazol-2-ium;methyl sulfate according to ADR classification 6.1 (toxic substances), Packing Group III. This classification requires appropriate packaging, labeling with toxic and environmental hazard symbols, and proper shipping documentation. Use UN-approved packaging suitable for Packing Group III substances. Ensure vehicles are properly equipped and drivers are trained for hazardous materials transport. Follow all applicable international transport regulations for dangerous goods.

Is 1,2-dimethyl-3,5-diphenylpyrazol-2-ium;methyl sulfate subject to specific regulations?

1,2-dimethyl-3,5-diphenylpyrazol-2-ium;methyl sulfate is subject to EU REACH regulation and CLP classification requirements. The compound is classified under GHS with pictograms GHS07 and GHS09, requiring appropriate labeling and safety data sheets. It is not currently listed as a SVHC (Substance of Very High Concern). Users must comply with occupational health and safety regulations, environmental protection laws, and may need registration or notification depending on quantities handled and intended use.

Where to buy 1,2-dimethyl-3,5-diphenylpyrazol-2-ium;methyl sulfate in Europe?

1,2-dimethyl-3,5-diphenylpyrazol-2-ium;methyl sulfate is available through OYSI, a specialized European distributor of high-quality chemical products. OYSI provides reliable supply chains across Europe with proper documentation, safety data sheets, and regulatory compliance support. As a professional chemical distributor, OYSI ensures product quality, appropriate packaging, and technical support for industrial and research applications. Contact OYSI directly for availability, specifications, and pricing information.

Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.