4-diethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine

C13H24N3O3PS

CAS23505-41-1
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
23505-41-1
EC Number
245-704-0
UN Number
3018
Index Number
015-099-00-6
PubChem CID
31957

Physical-chemical properties

Molecular Formula
C13H24N3O3PS
Molar Mass
333.39 g/mol
IUPAC Name
4-diethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine

Chemical Identifiers

InChI
InChI=1S/C13H24N3O3PS/c1-6-16(7-2)13-14-11(5)10-12(15-13)19-20(21,17-8-3)18-9-4/h10H,6-9H2,1-5H3
InChI Key
TZBPRYIIJAJUOY-UHFFFAOYSA-N

Overview

4-diethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine (CAS 23505-41-1) is an organophosphorus compound with pyrimidine structure featuring significant toxicity and environmental hazard properties. This specialized chemical compound belongs to the organophosphorus family and contains both pyrimidine and phosphorothioate functional groups within its molecular structure. With a molecular formula of C13H24N3O3PS and molecular weight of 333.39 g/mol, this substance exhibits complex chemical behavior due to its multiple reactive sites. The compound is classified under European regulations with EC number 245-704-0 and carries significant safety considerations due to its acute toxicity profile. The substance presents notable safety challenges, classified as Acute Tox. 4 and Acute Tox. 3 under GHS standards, requiring careful handling protocols and appropriate personal protective equipment. Its environmental impact classification as Aquatic Acute 1 and Aquatic Chronic 1 indicates severe toxicity to aquatic life with long-lasting effects. The compound displays GHS06 and GHS09 pictograms, emphasizing both human health hazards and environmental dangers. Transportation falls under ADR class 6.1, reflecting its toxic nature and requiring specialized shipping procedures. Industrial applications typically involve its use as an intermediate in pharmaceutical synthesis, agrochemical development, and specialized research applications where organophosphorus chemistry is required. The compound shares structural similarities with related phosphorothioate derivatives like diethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane, which are also utilized in similar chemical synthesis pathways. Its unique pyrimidine-phosphorus combination makes it valuable for developing compounds requiring both nitrogen heterocycle and organophosphorus functionalities. OYSI maintains availability of this technical-grade compound for qualified industrial customers with appropriate handling capabilities and regulatory compliance requirements.

Safety & Classification

Danger
Classification:

Acute Tox. 4 *; Acute Tox. 3 *; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H312

Harmful in contact with skin.

H301

Toxic 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

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:

Ingestion

Toxic

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 Number3018
ADR Class6.1
Packing GroupIII
Tunnel CodeE
Proper Shipping NamePirimiphos-ethyl (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 4-diethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine?

4-diethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine is an organophosphorus compound with the molecular formula C13H24N3O3PS and CAS number 23505-41-1. This substance has a molecular weight of 333.39 g/mol and contains both pyrimidine and phosphorothioate functional groups. It is classified as a hazardous substance with acute toxicity properties and environmental concerns, requiring careful handling and storage procedures in professional applications.

What are the physicochemical properties of 4-diethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine?

4-diethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine is a complex organic molecule with a molecular weight of 333.39 g/mol and formula C13H24N3O3PS. The compound contains nitrogen, oxygen, phosphorus, and sulfur atoms within its structure, featuring both pyrimidine and organophosphate moieties. Specific physical properties such as melting point, boiling point, and solubility characteristics should be confirmed through technical datasheets for precise handling requirements.

What is 4-diethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine used for?

4-diethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine is primarily used as an intermediate in chemical synthesis and pharmaceutical research applications. The compound's organophosphorus structure makes it valuable for specialized industrial processes requiring specific reactivity patterns. Due to its complex molecular structure containing pyrimidine and phosphorothioate groups, it serves professional users in research and development contexts where precise chemical functionality is required.

How to handle 4-diethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine safely?

4-diethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine requires careful handling due to its Acute Tox. 4 and Acute Tox. 3 classifications. Personal protective equipment including chemical-resistant gloves, safety goggles, and appropriate respiratory protection must be worn. Work should be conducted in well-ventilated areas or under fume hoods. Avoid skin contact, inhalation, and ingestion. Follow GHS06 (skull and crossbones) and GHS09 (environmental hazard) pictogram warnings during all handling procedures.

How to store 4-diethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine correctly?

4-diethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine must be stored in a cool, dry, well-ventilated area away from incompatible materials. The storage area should be secure and accessible only to trained personnel due to the substance's acute toxicity classification. Containers must be tightly sealed and properly labeled according to CLP regulations. Given its environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1), prevent release to water systems and ensure appropriate containment measures.

What to do in case of contact with 4-diethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine?

Immediate action is required due to the acute toxicity of 4-diethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine. For skin contact, remove contaminated clothing and rinse thoroughly with water for at least 15 minutes. If inhaled, move to fresh air immediately. For eye contact, flush with water for 15 minutes while holding eyelids open. If ingested, do not induce vomiting and seek immediate medical attention. Contact emergency services and provide the safety data sheet to medical professionals.

How to dispose of 4-diethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine appropriately?

4-diethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine requires disposal through licensed hazardous waste management companies due to its acute toxicity and environmental hazard classifications. The substance cannot be disposed of in regular waste streams or sewage systems given its Aquatic Acute 1 and Aquatic Chronic 1 classifications. Waste containers must be properly labeled and handled according to local and European waste regulations, ensuring full traceability and documentation of disposal procedures.

How to transport 4-diethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine?

4-diethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine is classified under ADR Class 6.1 (toxic substances), Packing Group III for transportation purposes. This classification requires specific packaging, labeling, and documentation in accordance with dangerous goods regulations. Transport vehicles must carry appropriate emergency equipment and drivers need ADR certification. Shipping documentation must include proper shipping names, hazard classes, and emergency response information. Only authorized carriers experienced with toxic substances should handle transportation.

Is 4-diethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine subject to specific regulations?

4-diethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine is subject to REACH regulation for registration, evaluation, and authorization within the European Union. The substance is classified under CLP regulation with specific hazard classifications (Acute Tox. 4, Acute Tox. 3, Aquatic Acute 1, Aquatic Chronic 1) requiring appropriate labeling and safety data sheets. While not currently listed as a SVHC, its acute toxicity and environmental hazard properties mean it may face additional restrictions or monitoring requirements.

Where to buy 4-diethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine in Europe?

4-diethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine is available through OYSI, a specialized European distributor of technical chemical products. OYSI provides this substance to qualified professional users with appropriate handling capabilities and regulatory compliance. Due to the substance's acute toxicity classification and regulatory requirements, purchases are restricted to authorized industrial and research customers who can demonstrate proper storage, handling, and disposal capabilities according to European chemical safety regulations.

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4-diethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine 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.