Diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane

C12H21N2O3PS

diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane

CAS333-41-5
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
333-41-5
EC Number
206-373-8
UN Number
3018
Index Number
015-040-00-4
PubChem CID
3017

Physical-chemical properties

Molecular Formula
C12H21N2O3PS
Molar Mass
304.35 g/mol
IUPAC Name
diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane

Chemical Identifiers

InChI
InChI=1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3
InChI Key
FHIVAFMUCKRCQO-UHFFFAOYSA-N

Overview

Diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane (CAS 333-41-5) is an organophosphorus compound with selective biological activity and specialized agricultural applications. This organophosphorus derivative, with the molecular formula C12H21N2O3PS and molecular weight of 304.35 g/mol, represents a sophisticated chemical structure combining phosphorothioate functionality with pyrimidine ring systems. The compound features a lambda5-phosphane core substituted with diethoxy groups and connected to a methylated isopropyl-pyrimidine moiety through an oxygen bridge. This structural arrangement provides the molecule with distinct chemical properties that differentiate it from simpler organophosphorus compounds like dimethoxy-(3-methyl-4-nitrophenoxy)-sulfanylidene-lambda5-phosphane, which lacks the pyrimidine heterocycle. The substance exhibits moderate acute toxicity (Acute Tox. 4) and significant aquatic toxicity, requiring careful handling protocols and environmental protection measures. Its classification under ADR Class 6.1 reflects its toxic properties, while GHS pictograms GHS07 and GHS09 indicate both health hazards and environmental dangers. These safety characteristics necessitate appropriate storage conditions, personal protective equipment, and waste management procedures. Primary industrial applications include specialized agrochemical formulations where its selective biological activity provides targeted pest control solutions. The compound also finds use in research and development applications for novel pesticide development and as an intermediate in the synthesis of related organophosphorus derivatives. Its unique pyrimidine-phosphorothioate structure makes it valuable for studies involving enzyme inhibition mechanisms. OYSI maintains reliable supply chains for this specialized organophosphorus compound, supporting European customers with consistent quality and regulatory compliance.

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

Frequently Asked Questions

What is diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane?

Diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane is an organophosphorus compound with CAS number 333-41-5 and molecular formula C12H21N2O3PS. This chemical substance has a molecular weight of 304.35 g/mol and contains a pyrimidine ring structure combined with phosphorus and sulfur functional groups. It is classified as moderately hazardous with acute toxicity category 4 and poses significant environmental risks to aquatic ecosystems.

What are the physicochemical properties of diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane?

Diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane is an organophosphorus compound with molecular formula C12H21N2O3PS and molecular weight 304.35 g/mol. The substance contains multiple functional groups including ethoxy groups, a substituted pyrimidine ring, and a phosphorus-sulfur bond. Due to its complex molecular structure and organophosphorus nature, it likely exhibits moderate polarity and specific solubility characteristics, though detailed physical properties require consultation of technical data sheets.

What is diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane used for?

Diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane is primarily used as an active ingredient in agricultural formulations and pest control applications. Its organophosphorus structure and pyrimidine ring system make it suitable for specialized chemical synthesis and research applications. The compound may also serve as an intermediate in the production of other agrochemical products or pharmaceutical compounds. Industrial applications typically require specialized handling due to its toxicological profile and environmental impact considerations.

How to handle diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane safely?

Diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane requires careful handling due to its Acute Tox. 4 classification. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or use local exhaust ventilation to minimize inhalation exposure. Avoid direct skin and eye contact, and prevent ingestion. Use appropriate engineering controls and follow workplace safety protocols. The Warning signal word indicates moderate hazard level requiring standard chemical safety precautions during handling and use.

How to store diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane correctly?

Diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane should be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers tightly sealed and properly labeled according to GHS requirements with pictograms GHS07 and GHS09. Store separately from food, beverages, and animal feed. Ensure storage area has appropriate spill containment measures and emergency equipment. Due to its aquatic toxicity classification, prevent environmental release during storage and implement measures to protect groundwater and surface water.

What to do in case of contact with diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane?

Immediate first aid measures for diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane exposure include removing contaminated clothing and rinsing affected skin or eyes with plenty of water for at least 15 minutes. If inhaled, move the person to fresh air and seek medical attention if symptoms persist. In case of ingestion, do not induce vomiting and seek immediate medical attention. Due to the Acute Tox. 4 classification, always consult poison control or medical professionals promptly after any significant exposure incident.

How to dispose of diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane appropriately?

Diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane must be disposed of through authorized hazardous waste disposal facilities in compliance with local and national regulations. The substance cannot be disposed of in regular municipal waste due to its toxicity and environmental hazard classifications (Aquatic Acute 1, Aquatic Chronic 1). Contact licensed waste management companies for proper collection and treatment. Prevent environmental release during disposal processes and ensure all containers are properly cleaned and handled according to waste classification requirements.

How to transport diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane?

Diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane is classified under ADR Class 6.1 (toxic substances) Packing Group III for transport. This classification requires specific packaging, labeling, and documentation according to dangerous goods regulations. Transport vehicles must carry appropriate emergency equipment and drivers need ADR certification for Class 6.1 materials. Shipping documents must include proper shipping names, hazard classes, and emergency contact information. Ensure packages are properly secured and labeled with required hazard markings during transportation.

Is diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane subject to specific regulations?

Diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane is subject to REACH regulation for registration and authorization in the European Union, though it is not currently listed as a Substance of Very High Concern (SVHC). The substance must comply with CLP regulation for classification, labeling, and packaging requirements. Additional restrictions may apply under national pesticide or biocide regulations depending on intended use. Transport regulations under ADR Class 6.1 also apply for shipping and distribution activities across European markets.

Where to buy diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane in Europe?

Diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane is available through OYSI, a specialized European distributor of technical chemicals and industrial raw materials. OYSI provides compliant supply with proper documentation, safety data sheets, and regulatory support for professional users across European markets. As a technical chemical requiring specialized handling, this substance is typically supplied to qualified industrial customers, research institutions, and agricultural professionals who meet regulatory requirements for handling hazardous materials and possess appropriate safety infrastructure.

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Diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane 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.