Ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate

C12H17O4PS2

ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate

CAS2597-03-7
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
2597-03-7
EC Number
219-997-0
UN Number
3018
Index Number
015-097-00-5
PubChem CID
17435

Physical-chemical properties

Molecular Formula
C12H17O4PS2
Molar Mass
320.40 g/mol
IUPAC Name
ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate

Chemical Identifiers

InChI
InChI=1S/C12H17O4PS2/c1-4-16-12(13)11(10-8-6-5-7-9-10)19-17(18,14-2)15-3/h5-9,11H,4H2,1-3H3
InChI Key
XAMUDJHXFNRLCY-UHFFFAOYSA-N

Overview

Ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate (CAS 2597-03-7) is an organophosphorus compound with phosphinothioyl and phenylacetate functional groups. This specialized organophosphorus chemical, with the molecular formula C12H17O4PS2 and molecular weight of 320.4 g/mol, represents an important class of compounds containing both sulfur and phosphorus heteroatoms. The molecule features a distinctive structure combining a dimethoxyphosphinothioyl group with a phenylacetate ester moiety, providing unique chemical properties that make it valuable in various industrial applications. From a safety perspective, ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate is classified under acute toxicity category 4 and poses significant environmental hazards as an aquatic acute and chronic toxicant. The compound requires careful handling protocols and displays GHS07 and GHS09 pictograms, indicating both health and environmental hazards. Its ADR classification as Class 6.1 substance further emphasizes the need for proper transportation and storage procedures. The compound finds applications primarily in agrochemical synthesis and pharmaceutical intermediate production, where its organophosphorus structure provides essential reactivity for complex molecule construction. Industrial uses include specialized chemical synthesis processes and research applications requiring phosphorus-sulfur containing building blocks. Unlike simpler structures such as methyl 2-chloro-3-(4-chlorophenyl)propanoate, this compound offers unique phosphinothioyl functionality that enables specific chemical transformations. In formulation chemistry, the compound serves as an intermediate for developing more complex organophosphorus derivatives, particularly in sectors requiring precise molecular architectures. The phenylacetate portion provides additional synthetic versatility, distinguishing it from other organophosphorus compounds in terms of potential applications. OYSI maintains reliable supply chains for ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate, ensuring consistent availability for European industrial customers requiring this specialized organophosphorus intermediate.

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

H312

Harmful in contact with skin.

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

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

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 NamePhenthoat (ISO)
Marine PollutantNo

Frequently Asked Questions

What is ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate?

Ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate is an organophosphorus compound with the molecular formula C12H17O4PS2 and CAS number 2597-03-7. This chemical substance has a molecular weight of 320.4 g/mol and contains phosphorus, sulfur, and ester functional groups within its structure. It is classified as a hazardous substance with moderate acute toxicity and significant environmental concerns, particularly regarding aquatic ecosystems.

What are the physicochemical properties of ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate?

Ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate is an organic compound with a molecular weight of 320.4 g/mol and molecular formula C12H17O4PS2. The substance contains both hydrophilic and lipophilic portions due to its ester groups and aromatic ring. Its organophosphorus structure with sulfur atoms influences its chemical stability and reactivity. Specific physical properties such as melting point, boiling point, and solubility data would require detailed analytical characterization.

What is ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate used for?

Ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate is primarily used in specialized chemical synthesis and research applications. Given its organophosphorus structure, it may serve as an intermediate in pharmaceutical synthesis, agricultural chemical production, or as a reagent in organic chemistry research. Its specific ester and phosphorus-containing functional groups make it valuable for developing compounds with biological activity or as a building block in complex molecular synthesis.

How to handle ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate safely?

Ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate requires careful handling with 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 exposure. The substance carries GHS07 and GHS09 pictograms indicating health and environmental hazards. Avoid skin and eye contact, prevent environmental release, and ensure proper training before handling. Always consult the safety data sheet for complete handling procedures.

How to store ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate correctly?

Ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate should be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly closed and protected from light and moisture to prevent degradation. Store away from oxidizing agents and strong bases due to the organophosphorus nature of the compound. Ensure proper labeling with hazard information and maintain inventory records. Storage areas should have appropriate spill containment measures and restricted access to trained personnel only.

What to do in case of contact with ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate?

In case of skin contact with ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate, immediately remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. For eye contact, flush immediately with clean water for 15 minutes and seek medical attention. If inhaled, move to fresh air and seek medical advice if symptoms persist. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for specific first aid measures.

How to dispose of ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate properly?

Ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate must be disposed of as hazardous waste through authorized waste management companies. Due to its acute toxicity and environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1), it cannot be disposed of in regular waste streams or sewage systems. Contact certified hazardous waste disposal services and follow local environmental regulations. Ensure proper documentation of waste disposal and use appropriate packaging for transport to disposal facilities.

How to transport ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate?

Ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate is classified under ADR Class 6.1 (toxic substances), Packing Group III for transportation. This classification requires specific packaging, labeling, and documentation for road transport. Packages must display appropriate hazard labels and proper shipping names. Transport vehicles need placarding and drivers require ADR certification. Ensure compliance with international dangerous goods regulations for air and sea transport. Always use approved packaging and follow carrier-specific requirements for hazardous materials.

Is ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate subject to special regulations?

Ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate is subject to CLP regulation classification as Acute Tox. 4 and Aquatic Acute/Chronic 1, requiring appropriate labeling and safety data sheets. It falls under REACH regulation for chemical registration and authorization within the EU. The substance is not currently listed as SVHC (Substance of Very High Concern). Users must comply with occupational exposure limits, environmental discharge restrictions, and waste disposal regulations. Industrial users may require specific permits depending on usage volumes and applications.

Where to buy ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate in Europe?

Ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this organophosphorus compound to industrial customers, research institutions, and chemical manufacturers across Europe. As a professional chemical distributor, OYSI ensures proper handling, documentation, and regulatory compliance for hazardous substances. Contact OYSI directly for availability, technical specifications, safety data sheets, and pricing information tailored to your specific application requirements and order quantities.

Data Sources

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