Ethyl N-(2-diethoxyphosphinothioylsulfanylacetyl)-N-methylcarbamate

C10H20NO5PS2

ethyl N-(2-diethoxyphosphinothioylsulfanylacetyl)-N-methylcarbamate

CAS2595-54-2
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
2595-54-2
EC Number
219-993-9
UN Number
3018
Index Number
015-045-00-1
PubChem CID
17434

Physical-chemical properties

Molecular Formula
C10H20NO5PS2
Molar Mass
329.40 g/mol
IUPAC Name
ethyl N-(2-diethoxyphosphinothioylsulfanylacetyl)-N-methylcarbamate

Chemical Identifiers

InChI
InChI=1S/C10H20NO5PS2/c1-5-14-10(13)11(4)9(12)8-19-17(18,15-6-2)16-7-3/h5-8H2,1-4H3
InChI Key
KLGMSAOQDHLCOS-UHFFFAOYSA-N

Overview

Ethyl N-(2-diethoxyphosphinothioylsulfanylacetyl)-N-methylcarbamate (CAS 2595-54-2) is an organophosphorus compound with carbamate functionality exhibiting significant toxicological properties. This specialized chemical compound, with molecular formula C10H20NO5PS2 and molecular weight 329.4 g/mol, represents a unique combination of organophosphorus and carbamate chemical structures. The presence of both phosphorus-sulfur bonds and carbamate ester functionality makes this compound particularly interesting for industrial applications requiring specific reactivity profiles. Its complex structure incorporates diethoxyphosphinothioyl and acetyl groups linked to a methylcarbamate moiety, providing multiple reactive sites for chemical transformations. The compound is classified under significant safety considerations, bearing Acute Toxicity Category 3 classifications and environmental hazard designations (Aquatic Acute 1, Aquatic Chronic 1). These classifications necessitate careful handling protocols and proper safety equipment during storage, transportation, and use. The assigned GHS pictograms GHS06 and GHS09 indicate both acute toxicity and environmental hazards, while the ADR Class 6.1 designation requires specialized transport procedures for dangerous goods. From a chemical family perspective, this compound shares structural similarities with other carbamate derivatives such as [4-(dimethylamino)-3-methylphenyl] N-methylcarbamate, though the phosphorus-containing substituent provides distinct chemical properties. The organophosphorus component differentiates it significantly from simpler carbamate structures. Primary industrial applications include use as an intermediate in pharmaceutical synthesis, agricultural chemical production, and specialized organic synthesis processes where both organophosphorus and carbamate functionalities are required. The compound's dual reactive nature makes it valuable for developing complex molecular architectures in research and development applications. OYSI maintains reliable supply chains for this specialized organophosphorus compound, ensuring consistent availability for European industrial customers requiring high-quality chemical intermediates.

Safety & Classification

Danger
Classification:

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

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H311

Toxic 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

Toxic

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 GroupII
Tunnel CodeD/E
Proper Shipping NameMecarbam (ISO)
Marine PollutantNo

Frequently Asked Questions

What is ethyl N-(2-diethoxyphosphinothioylsulfanylacetyl)-N-methylcarbamate?

Ethyl N-(2-diethoxyphosphinothioylsulfanylacetyl)-N-methylcarbamate is an organophosphorus compound with CAS number 2595-54-2 and molecular formula C10H20NO5PS2. This chemical substance has a molecular weight of 329.4 g/mol and belongs to the class of phosphorothioate derivatives. It is classified as highly toxic with acute toxicity category 3 and poses significant environmental hazards to aquatic life. The compound requires careful handling due to its dangerous properties and is regulated under various safety protocols.

What are the physicochemical properties of ethyl N-(2-diethoxyphosphinothioylsulfanylacetyl)-N-methylcarbamate?

Ethyl N-(2-diethoxyphosphinothioylsulfanylacetyl)-N-methylcarbamate has a molecular weight of 329.4 g/mol and contains phosphorus and sulfur atoms in its structure. The compound exhibits organophosphorus characteristics typical of phosphorothioate derivatives. Due to its complex molecular structure with both polar and nonpolar components, it likely shows moderate solubility in organic solvents. Specific physical properties such as melting point, boiling point, and exact solubility data should be obtained from the manufacturer's technical datasheet for precise handling requirements.

What is ethyl N-(2-diethoxyphosphinothioylsulfanylacetyl)-N-methylcarbamate used for?

Ethyl N-(2-diethoxyphosphinothioylsulfanylacetyl)-N-methylcarbamate is primarily used as an intermediate in chemical synthesis and pharmaceutical research applications. Its organophosphorus structure makes it valuable in the development of various chemical compounds and potential pharmaceutical agents. The substance may also serve as a research chemical for studying phosphorothioate chemistry and related biochemical processes. Due to its high toxicity classification, its use is restricted to professional and industrial applications with appropriate safety measures and regulatory compliance.

How to handle ethyl N-(2-diethoxyphosphinothioylsulfanylacetyl)-N-methylcarbamate safely?

Ethyl N-(2-diethoxyphosphinothioylsulfanylacetyl)-N-methylcarbamate requires strict safety protocols due to its Acute Toxicity Category 3 classification and Danger signal word. Always wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and respiratory protection. Work in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid skin contact and ingestion completely. Ensure emergency procedures are in place and personnel are trained in handling highly toxic substances before working with this compound.

How to store ethyl N-(2-diethoxyphosphinothioylsulfanylacetyl)-N-methylcarbamate correctly?

Ethyl N-(2-diethoxyphosphinothioylsulfanylacetyl)-N-methylcarbamate must be stored in a secure, well-ventilated area away from incompatible materials and ignition sources. Keep containers tightly sealed and properly labeled with GHS06 and GHS09 pictograms. Store at controlled temperatures in designated hazardous chemical storage facilities with restricted access. Ensure storage areas comply with local regulations for highly toxic substances and maintain proper inventory controls. Separate from oxidizing agents, strong acids, and bases to prevent dangerous reactions.

What to do in case of contact with ethyl N-(2-diethoxyphosphinothioylsulfanylacetyl)-N-methylcarbamate?

Immediate action is required due to the high toxicity of ethyl N-(2-diethoxyphosphinothioylsulfanylacetyl)-N-methylcarbamate. For skin contact, remove contaminated clothing and rinse affected area with plenty of water for at least 15 minutes. If inhaled, move to fresh air immediately and seek medical attention. In case of eye contact, flush with water for 15 minutes and remove contact lenses if present. For ingestion, do not induce vomiting and seek immediate medical help. Always contact emergency services and poison control centers for exposure incidents.

How to dispose of ethyl N-(2-diethoxyphosphinothioylsulfanylacetyl)-N-methylcarbamate appropriately?

Ethyl N-(2-diethoxyphosphinothioylsulfanylacetyl)-N-methylcarbamate must be disposed of as hazardous waste through licensed waste management companies specializing in toxic chemical disposal. Never dispose of this substance in regular waste streams, sewers, or the environment due to its acute toxicity and environmental hazard classification. Follow local and national hazardous waste regulations including proper documentation, packaging, and labeling requirements. Contact certified waste disposal contractors who can handle Category 3 toxic substances and ensure compliance with environmental protection standards.

How to transport ethyl N-(2-diethoxyphosphinothioylsulfanylacetyl)-N-methylcarbamate?

Ethyl N-(2-diethoxyphosphinothioylsulfanylacetyl)-N-methylcarbamate is classified as ADR Class 6.1 (toxic substances) Packing Group II, requiring strict transport regulations compliance. Use approved packaging systems designed for toxic liquids or solids with proper labeling including GHS06 and GHS09 pictograms. Transport documentation must include proper shipping names, hazard classifications, and emergency response information. Only authorized carriers with dangerous goods training should handle transportation, following ADR/IMDG regulations for toxic substances throughout the shipping process.

Is ethyl N-(2-diethoxyphosphinothioylsulfanylacetyl)-N-methylcarbamate subject to specific regulations?

Ethyl N-(2-diethoxyphosphinothioylsulfanylacetyl)-N-methylcarbamate is subject to comprehensive chemical regulations including REACH registration requirements in Europe and CLP classification standards. The substance is not currently listed as a Substance of Very High Concern (SVHC) but must comply with acute toxicity and environmental hazard regulations. Users must follow occupational exposure limits, environmental discharge restrictions, and proper notification procedures. Additional national regulations may apply for handling, storage, and use of Category 3 toxic substances in industrial applications.

Where to buy ethyl N-(2-diethoxyphosphinothioylsulfanylacetyl)-N-methylcarbamate in Europe?

Ethyl N-(2-diethoxyphosphinothioylsulfanylacetyl)-N-methylcarbamate is available through OYSI, a specialized European distributor of technical chemicals and research compounds. OYSI provides this substance to qualified industrial and research customers with appropriate handling capabilities and regulatory compliance. Due to the high toxicity classification, purchases require proper documentation including end-use certificates and safety protocols. Contact OYSI's technical sales team for availability, packaging options, and regulatory guidance for this controlled chemical substance in your specific application.

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Data Sources

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