2-dimethoxyphosphorylsulfanyl-N-methylacetamide

C5H12NO4PS

CAS1113-02-6
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
1113-02-6
EC Number
214-197-8
UN Number
3018
Index Number
015-066-00-6
PubChem CID
14210

Physical-chemical properties

Molecular Formula
C5H12NO4PS
Molar Mass
213.19 g/mol
IUPAC Name
2-dimethoxyphosphorylsulfanyl-N-methylacetamide

Chemical Identifiers

InChI
InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)
InChI Key
PZXOQEXFMJCDPG-UHFFFAOYSA-N

Overview

2-dimethoxyphosphorylsulfanyl-N-methylacetamide (CAS 1113-02-6) is an organophosphorus compound with acetamide functionality and notable toxicological properties. This specialized chemical compound, also identified by EC number 214-197-8, represents a unique organophosphorus derivative combining phosphoryl, sulfur, and acetamide structural elements within its molecular framework. With a molecular formula of C5H12NO4PS and molecular weight of 213.19 g/mol, this substance exhibits distinct chemical characteristics that make it valuable for specific industrial applications while requiring careful handling protocols. The compound's hazard classification includes Acute Toxicity categories 3 and 4, along with Aquatic Acute toxicity category 1, necessitating strict safety measures during storage, handling, and transportation. The GHS06 skull and crossbones pictogram and GHS09 environmental hazard symbol reflect its potential risks to human health and aquatic ecosystems. Its ADR classification as Class 6.1 (toxic substances) further emphasizes the importance of proper transport procedures and regulatory compliance. From a structural perspective, this organophosphorus compound shares certain characteristics with related substances such as 2-(2-dimethoxyphosphorylsulfanylethylsulfanyl)-N-methylpropanamide, which features similar phosphoryl and sulfanyl functional groups. The presence of the dimethoxyphosphoryl moiety contributes to its chemical reactivity and biological activity profile. Industrial applications typically include use as a chemical intermediate in pharmaceutical synthesis, agricultural chemical production, and specialized organic synthesis processes. The compound's unique structure makes it particularly valuable in the development of bioactive molecules and as a building block for more complex organophosphorus compounds. OYSI maintains availability of this technical-grade compound for qualified industrial customers requiring this specialized organophosphorus intermediate.

Safety & Classification

Danger
Classification:

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

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

Frequently Asked Questions

What is 2-dimethoxyphosphorylsulfanyl-N-methylacetamide?

2-dimethoxyphosphorylsulfanyl-N-methylacetamide is an organophosphorus compound with the molecular formula C5H12NO4PS and CAS number 1113-02-6. This chemical substance has a molecular weight of 213.19 g/mol and contains phosphorus, sulfur, nitrogen, and oxygen atoms in its structure. It is classified as a hazardous substance due to its acute toxicity properties and environmental impact on aquatic organisms.

What are the physicochemical properties of 2-dimethoxyphosphorylsulfanyl-N-methylacetamide?

2-dimethoxyphosphorylsulfanyl-N-methylacetamide is an organic compound with a molecular mass of 213.19 g/mol and the formula C5H12NO4PS. As an organophosphorus compound containing both acetamide and phosphoryl functional groups, it likely exists as a solid or liquid at room temperature. The presence of methoxy groups and the acetamide moiety suggests potential solubility in polar solvents, though specific physical properties require consultation of detailed technical specifications.

What is 2-dimethoxyphosphorylsulfanyl-N-methylacetamide used for?

2-dimethoxyphosphorylsulfanyl-N-methylacetamide is primarily used as a chemical intermediate in organic synthesis and pharmaceutical research applications. Its organophosphorus structure makes it valuable in the development of specialized compounds and as a building block for more complex molecules. The compound may also serve as a research reagent in laboratories studying phosphorus-sulfur chemistry and related biochemical processes.

How to handle 2-dimethoxyphosphorylsulfanyl-N-methylacetamide safely?

2-dimethoxyphosphorylsulfanyl-N-methylacetamide requires careful handling due to its Acute Tox. 3 and 4 classifications. 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. The substance displays GHS06 and GHS09 pictograms, indicating both toxicity and environmental hazards, so minimize exposure and prevent environmental release.

How to store 2-dimethoxyphosphorylsulfanyl-N-methylacetamide correctly?

2-dimethoxyphosphorylsulfanyl-N-methylacetamide should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from incompatible materials. Keep containers properly labeled and segregated from food, feed, and drinking water. Due to its aquatic toxicity classification (Aquatic Acute 1), ensure storage areas have appropriate containment measures to prevent environmental contamination. Follow good chemical hygiene practices and maintain inventory records.

What to do in case of contact with 2-dimethoxyphosphorylsulfanyl-N-methylacetamide?

In case of skin contact with 2-dimethoxyphosphorylsulfanyl-N-methylacetamide, immediately remove contaminated clothing and wash affected areas thoroughly with soap and water for at least 15 minutes. If eye contact occurs, rinse immediately with clean water for 15 minutes and seek medical attention. In case of inhalation, move to fresh air immediately. Due to its acute toxicity classification, seek immediate medical attention for any significant exposure and provide the safety data sheet to medical personnel.

How to dispose of 2-dimethoxyphosphorylsulfanyl-N-methylacetamide properly?

2-dimethoxyphosphorylsulfanyl-N-methylacetamide must be disposed of through licensed hazardous waste disposal facilities due to its acute toxicity and environmental hazard classifications. Never dispose of this substance down drains, sewers, or into the environment as it poses risks to aquatic organisms (Aquatic Acute 1). Contact authorized waste management companies and follow local environmental regulations. Contaminated packaging should also be treated as hazardous waste and disposed of accordingly.

How to transport 2-dimethoxyphosphorylsulfanyl-N-methylacetamide?

2-dimethoxyphosphorylsulfanyl-N-methylacetamide is classified under ADR Class 6.1 (Toxic substances), Packing Group II, indicating moderate toxicity requiring specific transport precautions. Shipments must comply with dangerous goods regulations, including proper packaging, labeling, and documentation. Only trained personnel should handle the transport, and vehicles must carry appropriate emergency equipment. Ensure packages are properly secured and protected from damage during transit, and follow all applicable international transport regulations.

Is 2-dimethoxyphosphorylsulfanyl-N-methylacetamide subject to specific regulations?

2-dimethoxyphosphorylsulfanyl-N-methylacetamide is subject to various chemical regulations including REACH registration requirements in Europe and CLP classification obligations. The substance carries the signal word 'Danger' and must display GHS06 and GHS09 pictograms on labels. It is not currently listed as a SVHC (Substance of Very High Concern), but users must comply with occupational safety regulations and environmental protection laws due to its toxicity and aquatic hazard classifications.

Where to buy 2-dimethoxyphosphorylsulfanyl-N-methylacetamide in Europe?

2-dimethoxyphosphorylsulfanyl-N-methylacetamide is available through OYSI, a specialized European distributor of technical chemicals and research compounds. OYSI provides this substance to qualified industrial and research customers across Europe, ensuring proper handling, documentation, and regulatory compliance. Contact OYSI directly for availability, technical specifications, and pricing information. Due to the substance's hazardous nature, purchases may require verification of proper handling capabilities and intended use.

Data Sources

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