Ethyl 2-diethoxyphosphinothioyloxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

C14H20N3O5PS

ethyl 2-diethoxyphosphinothioyloxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

CAS13457-18-6
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
13457-18-6
EC Number
236-656-1
UN Number
2783
Index Number
015-137-00-1
PubChem CID
26033

Physical-chemical properties

Molecular Formula
C14H20N3O5PS
Molar Mass
373.37 g/mol
IUPAC Name
ethyl 2-diethoxyphosphinothioyloxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

Chemical Identifiers

InChI
InChI=1S/C14H20N3O5PS/c1-5-19-14(18)11-9-17-12(15-10(11)4)8-13(16-17)22-23(24,20-6-2)21-7-3/h8-9H,5-7H2,1-4H3
InChI Key
JOOMJVFZQRQWKR-UHFFFAOYSA-N

Overview

Ethyl 2-diethoxyphosphinothioyloxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate (CAS 13457-18-6) is an organophosphorus compound with insecticidal properties and aquatic toxicity concerns. This specialized heterocyclic compound belongs to the pyrazolopyrimidine family and features a complex molecular structure incorporating both phosphorus and sulfur functional groups. With a molecular formula of C14H20N3O5PS and molecular weight of 373.37 g/mol, this substance demonstrates the sophisticated chemistry typical of modern agrochemical intermediates. The compound's structure combines a pyrazolo[1,5-a]pyrimidine core with diethoxyphosphinothioyl and ethyl carboxylate substituents, contributing to its biological activity profile. From a safety perspective, this compound requires careful handling due to its classification as Acute Tox. 4 and significant environmental concerns reflected in its Aquatic Acute 1 and Aquatic Chronic 1 classifications. The GHS07 and GHS09 pictograms emphasize both health hazards and environmental dangers, while the ADR Class 6.1 designation indicates toxic substance transport requirements. The "Warning" signal word reflects moderate but notable hazard potential requiring appropriate safety protocols during handling and storage. Industrial applications primarily focus on agrochemical synthesis, where this compound serves as an active ingredient or intermediate in insecticide formulations. Its organophosphorus structure provides effective pest control properties, making it valuable in crop protection chemistry. Unlike simpler compounds such as methyl 2-chloro-3-(4-chlorophenyl)propanoate, this molecule's complex heterocyclic framework offers enhanced selectivity and potency in biological systems. OYSI maintains reliable supply chains for this specialized organophosphorus compound, supporting European customers in agrochemical and fine chemical applications with appropriate technical documentation and regulatory compliance support.

Safety & Classification

Warning
Classification:

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

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H332

Harmful if inhaled.

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

Inhalation

Harmful

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:

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 Number2783
ADR Class6.1
Packing GroupIII
Tunnel CodeE
Proper Shipping NamePyrazophos (ISO)
Marine PollutantNo

Frequently Asked Questions

What is ethyl 2-diethoxyphosphinothioyloxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?

Ethyl 2-diethoxyphosphinothioyloxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate is an organophosphorus compound with the molecular formula C14H20N3O5PS and CAS number 13457-18-6. This chemical substance has a molecular weight of 373.37 g/mol and belongs to the pyrazolopyrimidine class of compounds. It is classified as moderately toxic and harmful to aquatic environments, requiring careful handling and environmental protection measures during use.

What are the physicochemical properties of ethyl 2-diethoxyphosphinothioyloxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?

Ethyl 2-diethoxyphosphinothioyloxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate is a complex organic molecule with a molecular weight of 373.37 g/mol. As an organophosphorus compound containing ester groups, it likely exhibits moderate solubility in organic solvents. The presence of phosphorus, sulfur, and nitrogen atoms in its structure influences its chemical reactivity and stability. Specific physical properties such as melting point, boiling point, and exact solubility data should be obtained from detailed technical specifications.

What is ethyl 2-diethoxyphosphinothioyloxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate used for?

Ethyl 2-diethoxyphosphinothioyloxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate is primarily used in specialized chemical research and pharmaceutical intermediate synthesis. Its complex pyrazolopyrimidine structure makes it valuable for developing bioactive compounds and studying organophosphorus chemistry. The compound may serve as a building block in organic synthesis, particularly in the development of agrochemicals or pharmaceutical compounds. Its applications are typically limited to professional laboratory and industrial settings requiring specialized chemical expertise.

How to handle ethyl 2-diethoxyphosphinothioyloxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate safely?

Ethyl 2-diethoxyphosphinothioyloxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate requires careful handling due to its Acute Toxicity Category 4 classification. Always wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume hoods to avoid inhalation. Prevent skin and eye contact, and avoid ingestion. Handle containers carefully to prevent spills and ensure proper grounding when transferring to prevent static electricity buildup.

How to store ethyl 2-diethoxyphosphinothioyloxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate correctly?

Ethyl 2-diethoxyphosphinothioyloxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate should be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly sealed and protected from light and moisture. Due to its aquatic toxicity classification, ensure storage areas have appropriate containment measures to prevent environmental release. Store away from oxidizing agents and strong bases. Maintain storage temperatures as specified by the manufacturer and ensure proper segregation from food, feed, and drinking water supplies.

What to do in case of contact with ethyl 2-diethoxyphosphinothioyloxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?

Immediate first aid measures are essential when contact occurs with ethyl 2-diethoxyphosphinothioyloxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. In case of eye contact, rinse immediately with clean water for 15-20 minutes and remove contact lenses if present. If inhaled, move to fresh air immediately. If ingested, do not induce vomiting and seek medical attention. Always consult a physician if symptoms persist.

How to dispose of ethyl 2-diethoxyphosphinothioyloxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate appropriately?

Ethyl 2-diethoxyphosphinothioyloxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate must be disposed of as hazardous waste according to local and EU regulations. Due to its aquatic toxicity classification, prevent any release to water systems or soil. Contact authorized hazardous waste disposal companies for proper collection and treatment. Incineration at licensed facilities under controlled conditions is typically the preferred disposal method. Empty containers should also be treated as hazardous waste and disposed of through appropriate channels.

How to transport ethyl 2-diethoxyphosphinothioyloxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?

Ethyl 2-diethoxyphosphinothioyloxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate is classified under ADR Class 6.1 (Toxic substances), Packing Group III for transportation. This classification requires specific packaging, labeling, and documentation according to dangerous goods regulations. Packages must display appropriate hazard labels and UN numbers. Transportation must be conducted by certified carriers with proper training in handling toxic materials. Ensure compliance with international transport regulations including IMDG for sea transport and IATA for air transport.

Is ethyl 2-diethoxyphosphinothioyloxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate subject to specific regulations?

Ethyl 2-diethoxyphosphinothioyloxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate is subject to EU REACH and CLP regulations due to its hazardous classification. The compound requires proper classification, labeling, and safety data sheets according to CLP regulation. It is not currently listed as a Substance of Very High Concern (SVHC). Users must comply with occupational exposure limits, environmental protection measures, and waste management regulations. Registration under REACH may be required depending on import/manufacturing volumes and intended uses.

Where to buy ethyl 2-diethoxyphosphinothioyloxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate in Europe?

Ethyl 2-diethoxyphosphinothioyloxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate is available through OYSI, a trusted European distributor of specialty chemicals. OYSI provides high-quality chemical products with proper documentation, safety data sheets, and regulatory compliance support across Europe. As a specialized compound, it is typically available for professional and industrial customers with appropriate handling capabilities. Contact OYSI directly for availability, specifications, and pricing information tailored to your specific requirements and applications.

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Ethyl 2-diethoxyphosphinothioyloxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate is a dangerous good. We support you with labeling, packaging, and transport documentation.

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Data Sources

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