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 exhibiting significant toxicological properties and environmental concerns. This specialized chemical compound, with the molecular formula C5H12NO4PS and a molecular weight of 213.19 g/mol, represents an important organophosphorus derivative used in various industrial applications. The compound features a unique structural combination of phosphoryl, sulfanyl, and acetamide functional groups, which contribute to its distinctive chemical behavior and reactivity profile. Its EC number 214-197-8 provides additional regulatory identification for European chemical commerce. The safety profile of 2-dimethoxyphosphorylsulfanyl-N-methylacetamide requires careful consideration, as indicated by its classification under Acute Toxicity categories 3 and 4, along with Aquatic Acute toxicity category 1. The compound carries the "Danger" signal word and displays GHS06 and GHS09 pictograms, emphasizing both human health hazards and environmental risks. Transportation falls under ADR class 6.1, reflecting its toxic nature and requiring specialized handling protocols. This organophosphorus compound finds application in chemical synthesis as an intermediate, particularly in pharmaceutical research and agrochemical development. It also serves as a reagent in specialized analytical procedures and as a building block for more complex molecular structures. The compound shares structural similarities with related organophosphorus derivatives such as 2-(2-dimethoxyphosphorylsulfanylethylsulfanyl)-N-methylpropanamide, which exhibits comparable chemical properties and applications. OYSI provides this technical-grade chemical compound to qualified industrial customers across Europe, ensuring proper documentation and compliance with all relevant safety and transportation regulations for professional use.

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, and nitrogen functional groups. It is classified as a hazardous substance due to its acute toxicity properties and environmental impact on aquatic life, requiring careful handling and storage protocols.

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

2-dimethoxyphosphorylsulfanyl-N-methylacetamide is an organophosphorus compound with a molecular weight of 213.19 g/mol and molecular formula C5H12NO4PS. The substance contains multiple functional groups including phosphoryl, sulfanyl, and acetamide moieties. Its exact physical properties such as melting point, boiling point, and solubility characteristics should be verified through technical data sheets for specific handling and application requirements.

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

2-dimethoxyphosphorylsulfanyl-N-methylacetamide is primarily used in specialized chemical applications requiring organophosphorus compounds. Its specific applications depend on its unique chemical structure combining phosphoryl and acetamide functionalities. The compound may be utilized in research, pharmaceutical intermediates, or specialized industrial processes. Due to its hazardous classification, its use is restricted to professional and industrial applications with appropriate safety measures and regulatory compliance.

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

2-dimethoxyphosphorylsulfanyl-N-methylacetamide requires careful handling due to its Acute Tox. 4 and Acute Tox. 3 classifications. Personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing must be worn. Work in well-ventilated areas or under fume hoods to prevent inhalation. Avoid skin and eye contact, and ensure immediate access to emergency washing facilities. Follow all safety data sheet guidelines and local workplace safety regulations.

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

2-dimethoxyphosphorylsulfanyl-N-methylacetamide must be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly sealed and properly labeled according to GHS requirements with GHS06 and GHS09 pictograms. Store in areas restricted to authorized personnel only, away from sources of ignition and incompatible chemicals. Maintain proper inventory records and ensure storage facilities meet local regulatory requirements for toxic substances.

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 area with plenty of water for at least 15 minutes. For eye contact, flush immediately with water for 15-20 minutes. If inhaled, move to fresh air immediately. If swallowed, do not induce vomiting and rinse mouth with water. Seek immediate medical attention in all cases 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 as hazardous waste according to local and national regulations. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Never discharge into sewers, waterways, or soil due to its aquatic toxicity classification. Contaminated containers and materials must also be treated as hazardous waste. Maintain proper documentation of all disposal activities for regulatory compliance and environmental protection.

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 special transport precautions. Packages must be properly labeled with appropriate hazard labels and shipped according to dangerous goods regulations. Use approved packaging materials and ensure proper documentation including transport documents. Only trained personnel should handle shipments, and emergency response information must accompany the transport.

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. It is not currently listed as a Substance of Very High Concern (SVHC). The substance must comply with workplace safety regulations, transport regulations (ADR Class 6.1), and environmental protection laws due to its aquatic toxicity. Users must ensure proper risk assessments and safety measures are implemented.

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

2-dimethoxyphosphorylsulfanyl-N-methylacetamide is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides professional-grade chemical products with proper documentation, safety data sheets, and regulatory compliance support. As a specialized chemical requiring careful handling, it is available only to qualified industrial and research customers with appropriate facilities and safety protocols. Contact OYSI directly for availability, specifications, and ordering requirements.

Data Sources

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