Diethyl (5-methyl-1H-pyrazol-3-yl) phosphate
C8H15N2O4P
diethyl (5-methyl-1H-pyrazol-3-yl) phosphate
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Identification
- CAS Number
- 108-34-9
- UN Number
- 2783
- Index Number
- 015-023-00-1
- PubChem CID
- 7925
Physical-chemical properties
- Molecular Formula
- C8H15N2O4P
- Molar Mass
- 234.19 g/mol
- IUPAC Name
- diethyl (5-methyl-1H-pyrazol-3-yl) phosphate
Chemical Identifiers
- InChI
- InChI=1S/C8H15N2O4P/c1-4-12-15(11,13-5-2)14-8-6-7(3)9-10-8/h6H,4-5H2,1-3H3,(H,9,10)
- InChI Key
- CDCTYRNLXFEDHC-UHFFFAOYSA-N
Overview
Diethyl (5-methyl-1H-pyrazol-3-yl) phosphate (CAS 108-34-9) is an organophosphorus compound with high acute toxicity and specialized industrial applications. This organophosphorus derivative represents a significant chemical intermediate in various industrial processes, combining the structural features of both pyrazole heterocycles and phosphate esters. With a molecular formula of C8H15N2O4P and molecular weight of 234.19 g/mol, this compound exhibits unique chemical properties that make it valuable for specific technical applications while requiring careful handling protocols. The substance is classified under multiple acute toxicity categories (Acute Tox. 1 and Acute Tox. 2), necessitating stringent safety measures during handling, storage, and transportation. The GHS06 pictogram and "Danger" signal word reflect its serious health hazards, particularly regarding potential acute toxic effects through various exposure routes. As an ADR Class 6.1 substance, it requires specialized packaging and transport procedures to ensure compliance with international dangerous goods regulations. From a structural perspective, diethyl (5-methyl-1H-pyrazol-3-yl) phosphate shares certain handling considerations with other toxic industrial chemicals such as 2-chloroethanol, though its specific organophosphorus nature presents unique safety challenges. The compound's phosphate ester functionality contributes to its reactivity profile and potential applications. Primary industrial applications include its use as a chemical intermediate in pharmaceutical synthesis, specialized catalyst systems, and research applications requiring specific organophosphorus functionalities. The compound may also serve as a precursor in the development of more complex molecular structures for advanced material sciences. OYSI maintains technical-grade diethyl (5-methyl-1H-pyrazol-3-yl) phosphate inventory to support European industrial customers requiring this specialized organophosphorus compound for their technical applications.
Safety & Classification
Acute Tox. 2 *; Acute Tox. 1; Acute Tox. 2 *
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
Inhalation
Measures if vapours or dust are inhaled
First Aid Actions
- +P304IF INHALED:
- +P340Remove person to fresh air and keep comfortable for breathing.
- +P311Call a POISON CENTER/doctor.
Related hazard statements:
Skin Contact
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:
Ingestion
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 Number | 2783 |
| ADR Class | 6.1 |
| Packing Group | I |
| Tunnel Code | C/E |
| Proper Shipping Name | Pyrazoxon |
| Marine Pollutant | No |
Frequently Asked Questions
What is diethyl (5-methyl-1H-pyrazol-3-yl) phosphate?
Diethyl (5-methyl-1H-pyrazol-3-yl) phosphate is an organophosphate compound with the molecular formula C8H15N2O4P and CAS number 108-34-9. This chemical substance has a molecular weight of 234.19 g/mol and belongs to the class of phosphate esters containing a pyrazole ring. It is classified as highly toxic with acute toxicity categories 1 and 2, requiring careful handling and specialized safety measures in professional applications.
What are the physicochemical properties of diethyl (5-methyl-1H-pyrazol-3-yl) phosphate?
Diethyl (5-methyl-1H-pyrazol-3-yl) phosphate is an organic phosphate ester with specific physicochemical characteristics determined by its molecular structure. The compound contains both phosphate and pyrazole functional groups, which influence its solubility and stability properties. As an organophosphate, it typically exhibits moderate to good solubility in organic solvents. The presence of the pyrazole ring and phosphate ester linkages affects its chemical reactivity and physical state under standard conditions.
What is diethyl (5-methyl-1H-pyrazol-3-yl) phosphate used for?
Diethyl (5-methyl-1H-pyrazol-3-yl) phosphate serves as a specialized chemical intermediate in organic synthesis and pharmaceutical research applications. The compound's unique structure, combining phosphate ester and pyrazole functionalities, makes it valuable for developing bioactive molecules and conducting chemical research. Its applications are typically limited to professional laboratory settings and industrial processes requiring high purity organophosphate compounds with specific structural features.
How to handle diethyl (5-methyl-1H-pyrazol-3-yl) phosphate safely?
Diethyl (5-methyl-1H-pyrazol-3-yl) phosphate requires extreme caution due to its Acute Tox. 1 and 2 classifications with GHS06 pictogram. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and respiratory protection in well-ventilated areas or fume hoods. Avoid skin contact, inhalation, and ingestion completely. Work with minimal quantities, use proper laboratory techniques, and ensure emergency procedures are readily available. Only trained personnel should handle this highly toxic substance.
How to store diethyl (5-methyl-1H-pyrazol-3-yl) phosphate correctly?
Diethyl (5-methyl-1H-pyrazol-3-yl) phosphate must be stored in a secure, temperature-controlled environment away from incompatible materials. Keep containers tightly sealed in a cool, dry place with restricted access due to its high toxicity classification. Store separately from oxidizing agents, bases, and moisture-sensitive areas. Ensure proper labeling with hazard warnings and maintain inventory records. Storage areas should have appropriate ventilation, spill containment measures, and emergency response equipment readily accessible.
What to do in case of contact with diethyl (5-methyl-1H-pyrazol-3-yl) phosphate?
Immediate medical attention is critical due to the substance's Acute Tox. 1 classification. For skin contact, remove contaminated clothing and flush thoroughly with water for at least 15 minutes. If inhaled, move to fresh air immediately and seek medical help. For eye contact, rinse continuously with water and remove contact lenses if present. Never induce vomiting if ingested. Contact poison control and emergency services immediately, providing the safety data sheet to medical personnel.
How to dispose of diethyl (5-methyl-1H-pyrazol-3-yl) phosphate appropriately?
Diethyl (5-methyl-1H-pyrazol-3-yl) phosphate requires specialized hazardous waste disposal due to its high toxicity classification. Contact licensed hazardous waste disposal companies authorized to handle toxic organophosphate compounds. Never dispose of in regular waste streams, sewers, or soil. Follow local and national regulations for toxic substance disposal, maintain proper documentation, and use appropriate packaging for waste transport. Incineration at authorized high-temperature facilities is typically the preferred disposal method.
How to transport diethyl (5-methyl-1H-pyrazol-3-yl) phosphate?
Diethyl (5-methyl-1H-pyrazol-3-yl) phosphate is classified under ADR Class 6.1, Packing Group I, indicating highly toxic substances requiring stringent transport regulations. Packaging must comply with UN specifications for toxic materials, with proper hazard labels and documentation. Only certified carriers experienced in hazardous materials transport should handle shipments. Transport vehicles require appropriate placarding, emergency response information, and compliance with routing restrictions for highly toxic substances.
Is diethyl (5-methyl-1H-pyrazol-3-yl) phosphate subject to specific regulations?
Diethyl (5-methyl-1H-pyrazol-3-yl) phosphate is subject to comprehensive chemical regulations including REACH registration requirements, CLP classification as highly toxic, and transport regulations under ADR Class 6.1. The substance is not currently listed as SVHC but may be subject to additional restrictions due to its acute toxicity classification. Users must comply with occupational exposure limits, workplace safety regulations, and proper notification requirements for handling highly toxic substances.
Where to buy diethyl (5-methyl-1H-pyrazol-3-yl) phosphate in Europe?
Diethyl (5-methyl-1H-pyrazol-3-yl) phosphate is available through OYSI, a specialized European distributor of technical chemicals and laboratory reagents. OYSI provides this highly regulated substance to qualified customers with proper handling capabilities and regulatory compliance. Due to the substance's high toxicity classification, purchases require verification of appropriate facilities, trained personnel, and legitimate research or industrial applications. Contact OYSI directly for availability, regulatory documentation, and technical support.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.