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 featuring phosphinothioyl and phenylacetate functional groups with distinct chemical reactivity properties. This specialized chemical compound, also identified by EC number 219-997-0, belongs to the organophosphorus family and exhibits a molecular formula of C12H17O4PS2 with a molecular weight of 320.4 g/mol. The molecule's structure incorporates both sulfur-containing phosphinothioyl groups and an ethyl ester functionality, making it chemically distinct from simpler organophosphorus derivatives. Its complex architecture includes a phenyl ring attached to an acetate moiety, which is further substituted with a dimethoxyphosphinothioylsulfanyl group. From a safety perspective, ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate requires careful handling due to its classification as Acute Tox. 4 and significant aquatic toxicity (Aquatic Acute 1, Aquatic Chronic 1). The compound carries a Warning signal word and displays GHS07 and GHS09 pictograms, indicating both health hazards and environmental concerns. Its ADR classification as Class 6.1 confirms its status as a toxic substance requiring appropriate transportation protocols. Industrial applications of this organophosphorus compound typically include use as a chemical intermediate in pharmaceutical synthesis, agricultural chemical manufacturing, and specialized organic synthesis processes. The compound's unique structural features make it valuable in developing complex molecules where both phosphorus chemistry and ester functionality are required, distinguishing it from related compounds such as phenyl 5,6-dichloro-2-(trifluoromethyl)benzimidazole-1-carboxylate. OYSI maintains reliable supply chains for ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate to support European chemical industry requirements.

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 acute toxicity properties and environmental concerns, requiring careful handling and storage procedures in industrial applications.

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

Ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate has a molecular weight of 320.4 g/mol and molecular formula C12H17O4PS2. The compound contains both hydrophilic and lipophilic portions due to its ester and aromatic groups. As an organophosphorus compound with sulfur atoms, it likely exhibits moderate polarity. Specific physical properties such as melting point, boiling point, and solubility data would require detailed analytical characterization for precise determination.

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

Ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate is primarily used as an intermediate in chemical synthesis and pharmaceutical research applications. Its organophosphorus structure makes it valuable in the development of pesticides, pharmaceuticals, and specialty chemical products. The compound may serve as a building block for more complex molecules or as a reagent in organic synthesis processes requiring phosphorus-containing functionalities in industrial and research settings.

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

Ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate requires careful handling due to its Acute Tox. 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. The Warning signal word and GHS07 pictogram indicate moderate hazard levels requiring standard laboratory safety precautions and trained personnel.

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 heat sources and direct sunlight. Keep containers tightly sealed to prevent contamination and degradation. Store separately from incompatible materials such as strong oxidizing agents, acids, and bases. Given its organophosphorus nature, maintain storage temperatures below 25°C when possible and ensure proper labeling with hazard information for safe identification.

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 wash the affected area with plenty of soap and water for at least 15 minutes. For eye contact, rinse thoroughly with clean water for 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet and contact poison control if symptoms develop.

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

Ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate must be disposed of as hazardous chemical waste due to its toxicity and environmental classification (Aquatic Acute 1, Aquatic Chronic 1). Contact licensed hazardous waste disposal companies for proper collection and treatment. Never pour down drains or dispose of in regular waste streams. Follow local and national regulations for hazardous waste management, and maintain disposal records as required by environmental authorities.

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, indicating moderate toxicity for transportation purposes. Use appropriate UN-specification packaging and ensure proper labeling with hazard diamonds and shipping names. Transport vehicles must comply with ADR regulations for toxic substances. Shipping documentation should include safety data sheets and emergency response information for potential incidents during transit.

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

Ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate is subject to REACH registration requirements in Europe and must comply with CLP classification and labeling regulations. While not currently listed as an SVHC (Substance of Very High Concern), its acute toxicity and aquatic toxicity classifications require compliance with chemical safety regulations. Users must maintain safety data sheets, implement risk management measures, and follow occupational exposure limits where established by national authorities.

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

Ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate is available through OYSI, a specialized European distributor of chemical products. OYSI provides this compound to industrial customers, research institutions, and pharmaceutical companies across Europe with proper documentation and regulatory compliance. As a hazardous chemical, purchases require appropriate business licenses and intended use declarations. Contact OYSI directly for availability, technical specifications, and regulatory support for your specific application requirements.

Data Sources

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