5-methyl-1H-pyrazole

C4H6N2

CAS1453-58-3
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
Danger

Consulting for 5-methyl-1H-pyrazole

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Identification

CAS Number
1453-58-3
EC Number
215-925-7
UN Number
3265
Index Number
613-339-00-X
PubChem CID
15073

Physical-chemical properties

Molecular Formula
C4H6N2
Molar Mass
82.10 g/mol
IUPAC Name
5-methyl-1H-pyrazole

Chemical Identifiers

InChI
InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)
InChI Key
XKVUYEYANWFIJX-UHFFFAOYSA-N

Overview

5-methyl-1H-pyrazole (CAS 1453-58-3) is a heterocyclic organic compound with significant toxicological properties and specialized industrial applications. This nitrogen-containing heterocycle belongs to the pyrazole family, characterized by a five-membered ring structure containing two adjacent nitrogen atoms with a methyl substituent at the 5-position. With a molecular formula of C4H6N2 and molecular weight of 82.1 g/mol, 5-methyl-1H-pyrazole represents an important intermediate in organic synthesis and pharmaceutical chemistry. The compound is classified under EC number 215-925-7 and requires careful handling due to its hazardous properties. The safety profile of 5-methyl-1H-pyrazole demands particular attention, as it is classified with multiple serious hazard categories including reproductive toxicity (Repr. 1B), acute toxicity (Acute Tox. 4), specific target organ toxicity following repeated exposure (STOT RE 2), skin corrosion (Skin Corr. 1), and serious eye damage (Eye Dam. 1). These classifications necessitate the "Danger" signal word and corresponding GHS pictograms GHS08, GHS07, and GHS05. The substance falls under ADR transport class 8, indicating its corrosive nature during shipping and handling. Industrial applications of 5-methyl-1H-pyrazole primarily include pharmaceutical intermediate synthesis, agrochemical production, and specialized chemical manufacturing. Unlike simpler compounds such as ethane-1,2-diamine, this pyrazole derivative offers unique reactivity patterns that make it valuable in complex synthetic pathways. The compound serves as a building block for various bioactive molecules and can be utilized in the development of enzyme inhibitors and therapeutic agents. OYSI provides 5-methyl-1H-pyrazole to qualified industrial customers across Europe, ensuring proper documentation and regulatory compliance for this controlled substance.

Safety & Classification

Danger
Classification:

Repr. 1B; Acute Tox. 4; STOT RE 2; Skin Corr. 1; Eye Dam. 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

H373

May cause damage to organs through prolonged or repeated exposure.

H314

Causes severe skin burns and eye damage.

H318

Causes serious eye damage.

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:

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 Number3265
ADR Class8
Packing GroupII
Tunnel CodeE
Proper Shipping Name3-Methylpyrazol
Marine PollutantNo

Frequently Asked Questions

What is 5-methyl-1H-pyrazole?

5-methyl-1H-pyrazole is an organic chemical compound with the molecular formula C4H6N2 and CAS number 1453-58-3. It belongs to the pyrazole family, which are five-membered heterocyclic compounds containing two nitrogen atoms. With a molecular weight of 82.1 g/mol, this substance is classified as hazardous with multiple danger classes including reproductive toxicity, acute toxicity, and corrosive properties requiring careful handling in industrial applications.

What are the physicochemical properties of 5-methyl-1H-pyrazole?

5-methyl-1H-pyrazole is a small organic molecule with molecular formula C4H6N2 and molecular weight of 82.1 g/mol. As a pyrazole derivative, it typically exists as a crystalline solid at room temperature with characteristic nitrogen-containing heterocyclic structure. The compound exhibits basic properties due to its nitrogen atoms and shows solubility in polar solvents. Its specific physical properties like melting point and solubility should be verified from technical datasheets for precise applications.

What is 5-methyl-1H-pyrazole used for?

5-methyl-1H-pyrazole serves as an important intermediate in pharmaceutical and agrochemical synthesis. It is commonly used in the production of active pharmaceutical ingredients, particularly in the development of anti-inflammatory and antimicrobial compounds. The substance also finds applications in the synthesis of pesticides and herbicides, as well as in research and development for new chemical entities. Its pyrazole structure makes it valuable for creating complex molecular frameworks in organic synthesis.

How to handle 5-methyl-1H-pyrazole safely?

5-methyl-1H-pyrazole requires strict safety measures due to its corrosive and toxic properties. Workers must wear full personal protective equipment including chemical-resistant gloves, safety goggles, face shields, and protective clothing. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. Due to its reproductive toxicity (Category 1B) and skin corrosive properties, minimize direct contact and ensure emergency shower facilities are readily available during handling operations.

How to store 5-methyl-1H-pyrazole correctly?

5-methyl-1H-pyrazole must be stored in tightly sealed, corrosion-resistant containers in a cool, dry, well-ventilated area away from heat sources and incompatible materials. As a Class 8 corrosive substance, it should be segregated from oxidizing agents, strong bases, and organic materials. Storage areas must be equipped with appropriate spill containment measures and maintained at stable temperatures. Access should be restricted to trained personnel, and containers should be regularly inspected for signs of corrosion or leakage.

What to do in case of contact with 5-methyl-1H-pyrazole?

Immediate action is critical due to the corrosive nature of 5-methyl-1H-pyrazole. For skin contact, remove contaminated clothing and rinse affected area with copious amounts of water for at least 15 minutes. In case of eye contact, flush immediately with water for 15-20 minutes and seek medical attention. If inhaled, move victim to fresh air and provide respiratory support if needed. For ingestion, do not induce vomiting and seek immediate medical attention. Always consult safety data sheets for specific emergency procedures.

How to dispose of 5-methyl-1H-pyrazole appropriately?

5-methyl-1H-pyrazole must be disposed of as hazardous waste through licensed waste management companies in accordance with local and EU regulations. The substance cannot be discharged into sewers, waterways, or regular waste streams due to its toxic and corrosive properties. Waste containers should be properly labeled and stored separately from other waste types. Incineration at authorized high-temperature facilities is typically the preferred disposal method, following all applicable waste codes and transportation requirements for hazardous materials.

How to transport 5-methyl-1H-pyrazole?

5-methyl-1H-pyrazole is classified as ADR Class 8 (corrosive substances), Packing Group II, requiring specialized transportation procedures. Packages must meet UN specification standards for corrosive liquids and be properly labeled with appropriate hazard labels and markings. Transport vehicles must carry emergency response information and appropriate safety equipment. Drivers need ADR certification for dangerous goods transport, and shipments must comply with routing restrictions and quantity limitations as specified in ADR regulations for Class 8 substances.

Is 5-methyl-1H-pyrazole subject to specific regulations?

5-methyl-1H-pyrazole is subject to comprehensive EU chemical regulations including REACH registration requirements and CLP classification as a Category 1B reproductive toxicant. While not currently listed as a Substance of Very High Concern (SVHC), its hazardous properties require strict compliance with occupational exposure limits and workplace safety regulations. Users must maintain safety data sheets, implement appropriate risk management measures, and may need authorization for certain uses depending on application and exposure scenarios under REACH.

Where to buy 5-methyl-1H-pyrazole in Europe?

5-methyl-1H-pyrazole is available through OYSI, a specialized European distributor of technical chemical products. OYSI provides this substance to qualified industrial customers with proper handling capabilities and regulatory compliance. Due to the hazardous nature of this compound, purchases require verification of appropriate safety measures, trained personnel, and legitimate industrial use. Contact OYSI directly for availability, specifications, and technical support to ensure proper handling and regulatory compliance for your specific application requirements.

Data Sources

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