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 salt compound with distinctive chemical properties and industrial applications. This specialized chemical compound, registered under EC number 256-152-5, belongs to the family of pyrazolium-based ionic compounds with a molecular formula of C18H20N2O4S and molecular weight of 360.4 g/mol. The substance features a unique pyrazolium cation structure with two phenyl substituents and methyl groups, paired with a methyl sulfate anion. This structural arrangement confers specific physicochemical properties that make it valuable in various technical applications. From a safety perspective, 1,2-dimethyl-3,5-diphenylpyrazol-2-ium methyl sulfate is classified under acute toxicity category 4 with aquatic toxicity classifications (Aquatic Acute 1 and Aquatic Chronic 1), requiring careful handling protocols. The compound displays GHS07 and GHS09 pictograms with a "Warning" signal word, indicating moderate health hazards and environmental concerns. Transportation falls under ADR class 6.1, necessitating proper packaging and documentation for shipment. Industrial applications of this pyrazolium salt typically include use as a specialty chemical intermediate in organic synthesis, catalyst systems, and materials science applications. Its ionic nature and structural features make it particularly suitable for applications requiring specific electronic properties or as a component in advanced material formulations. The compound shares certain chemical characteristics with related phosphorus-containing compounds like dimethoxy-(3-methyl-4-nitrophenoxy)-sulfanylidene-lambda5-phosphane, though each serves distinct industrial purposes. OYSI maintains reliable supply chains for this technical-grade chemical compound, supporting European industrial customers with consistent quality and regulatory compliance documentation.

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 contains both cationic pyrazolium and methyl sulfate components. It is classified as moderately toxic and environmentally hazardous, requiring careful handling and storage protocols in industrial applications.

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 crystalline solid at room temperature with a molecular weight of 360.4 g/mol. As an ionic compound containing methyl sulfate, it typically exhibits good water solubility and hygroscopic properties. The presence of phenyl groups contributes to its aromatic character, while the pyrazolium structure provides cationic properties essential for its chemical functionality.

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 and reagent in organic synthesis applications. Its pyrazolium structure makes it valuable in pharmaceutical research, dye chemistry, and as a catalyst or ionic liquid precursor. The compound may also serve specialized roles in analytical chemistry and materials science where cationic organic salts are required for specific chemical transformations.

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

Safe handling requires appropriate personal protective equipment including safety goggles, chemical-resistant gloves, and protective clothing due to its Acute Tox. 4 classification. Work in well-ventilated areas or under fume extraction to prevent inhalation exposure. Avoid skin and eye contact, and ensure proper hygiene practices including thorough hand washing after handling. Emergency eyewash and safety shower facilities should be readily accessible in work areas.

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 incompatible materials and ignition sources. Keep containers tightly sealed to prevent moisture absorption and contamination. Due to its environmental hazard classification (Aquatic Acute 1, Chronic 1), ensure secondary containment measures are in place to prevent environmental release. Store separately from strong oxidizers and reactive chemicals.

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

In case of skin contact, immediately remove contaminated clothing and wash affected areas thoroughly with soap and water for at least 15 minutes. For eye contact, flush immediately with clean water for 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. For ingestion, rinse mouth and seek immediate medical attention. Do not induce vomiting. Seek medical advice if symptoms persist or exposure is significant.

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

Disposal must comply with local, national, and international environmental regulations due to its aquatic toxicity classification. The substance should be disposed of through licensed hazardous waste contractors specialized in toxic chemical disposal. Never discharge to sewers, waterways, or soil. Contaminated packaging should also be treated as hazardous waste. Consult local authorities for specific disposal requirements and approved facilities in your region.

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

Transport is regulated under ADR Class 6.1 (Toxic substances), Packing Group III, indicating moderate toxicity requiring specific packaging and documentation requirements. Packages must be properly labeled with appropriate hazard markings and shipping documentation. Use UN-approved packaging suitable for Packing Group III toxic solids. Ensure compliance with carrier regulations and provide appropriate transport emergency information to shipping personnel.

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

The substance is subject to CLP regulation requiring GHS07 and GHS09 pictograms with "Warning" signal word due to its acute toxicity and environmental hazard properties. It falls under REACH regulation for chemical registration and safety assessment. While not currently classified as SVHC, its environmental persistence classification may trigger additional monitoring requirements. Compliance with waste regulations and transport ADR 6.1 classification is mandatory for commercial handling.

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

OYSI is a specialized European distributor offering 1,2-dimethyl-3,5-diphenylpyrazol-2-ium;methyl sulfate for industrial and research applications. As an established chemical supplier, OYSI provides comprehensive technical support, regulatory documentation, and reliable supply chains across European markets. Contact OYSI directly for availability, technical specifications, safety data sheets, and pricing information tailored to your specific application requirements and volume needs.

Data Sources

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