2-(dimethoxyphosphorylsulfanylmethyl)-5-methoxypyran-4-one

C9H13O6PS

CAS2778-04-3
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
Danger

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Identification

CAS Number
2778-04-3
EC Number
220-472-3
UN Number
2783
Index Number
015-049-00-3
PubChem CID
17717

Physical-chemical properties

Molecular Formula
C9H13O6PS
Molar Mass
280.24 g/mol
IUPAC Name
2-(dimethoxyphosphorylsulfanylmethyl)-5-methoxypyran-4-one

Chemical Identifiers

InChI
InChI=1S/C9H13O6PS/c1-12-9-5-15-7(4-8(9)10)6-17-16(11,13-2)14-3/h4-5H,6H2,1-3H3
InChI Key
YCAGGFXSFQFVQL-UHFFFAOYSA-N

Overview

2-(dimethoxyphosphorylsulfanylmethyl)-5-methoxypyran-4-one (CAS 2778-04-3) is an organophosphorus compound with pyranone structure featuring acute toxicity properties. This specialized chemical compound represents a unique organophosphorus derivative characterized by its complex molecular structure combining phosphoryl, sulfanyl, and pyranone functional groups. With the molecular formula C9H13O6PS and a molecular weight of 280.24 g/mol, this substance exhibits distinct chemical properties that make it valuable for specific industrial applications. The compound's IUPAC nomenclature reflects its intricate structure, incorporating dimethoxyphosphoryl and methoxypyran moieties linked through a sulfanylmethyl bridge. The substance is classified under significant safety considerations, bearing the GHS06 pictogram and "Danger" signal word due to its Acute Toxicity Category 3 classification. This hazard profile necessitates careful handling protocols and appropriate safety measures during storage, transportation, and processing. The compound falls under ADR Class 6.1, indicating its classification as a toxic substance for transport purposes, requiring specialized logistics considerations. In industrial applications, 2-(dimethoxyphosphorylsulfanylmethyl)-5-methoxypyran-4-one finds use primarily in specialized chemical synthesis processes, particularly in pharmaceutical intermediate production and advanced organic chemistry research. Its unique structural features make it valuable for developing complex molecules in fine chemical manufacturing. Unlike simpler organophosphorus compounds such as dimethoxy-(2-propan-2-ylsulfanylethylsulfanyl)-sulfanylidene-lambda5-phosphane, this pyranone derivative offers distinct reactivity patterns suited for specialized synthetic pathways. OYSI maintains this specialized compound in its European distribution network, ensuring reliable supply chains for qualified industrial customers requiring this technical-grade chemical for their manufacturing processes.

Safety & Classification

Danger
Classification:

Acute Tox. 3 *; Acute Tox. 3 *

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H311

Toxic in contact with skin.

H301

Toxic if swallowed.

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 Number2783
ADR Class6.1
Packing GroupII
Tunnel CodeD/E
Proper Shipping NameEndothion (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 2-(dimethoxyphosphorylsulfanylmethyl)-5-methoxypyran-4-one?

2-(dimethoxyphosphorylsulfanylmethyl)-5-methoxypyran-4-one is an organophosphorus compound with the molecular formula C9H13O6PS and CAS number 2778-04-3. This chemical substance has a molecular weight of 280.24 g/mol and features a pyran ring structure with methoxy and dimethoxyphosphorylsulfanylmethyl substituents. It is classified as an acutely toxic substance requiring careful handling and appropriate safety measures during use.

What are the physicochemical properties of 2-(dimethoxyphosphorylsulfanylmethyl)-5-methoxypyran-4-one?

2-(dimethoxyphosphorylsulfanylmethyl)-5-methoxypyran-4-one exhibits specific physicochemical characteristics typical of organophosphorus compounds. With its molecular formula C9H13O6PS and molecular weight of 280.24 g/mol, this compound contains both phosphorus and sulfur atoms within its structure. The presence of methoxy groups and the pyran ring system influences its solubility and stability properties, though detailed physical parameters should be confirmed through technical data sheets.

What is 2-(dimethoxyphosphorylsulfanylmethyl)-5-methoxypyran-4-one used for?

2-(dimethoxyphosphorylsulfanylmethyl)-5-methoxypyran-4-one serves as a specialized chemical intermediate in organic synthesis and pharmaceutical research applications. Its unique organophosphorus structure makes it valuable for developing new compounds and as a reagent in specialized chemical processes. Due to its acute toxicity classification, its use is typically restricted to professional laboratory and industrial settings where proper safety protocols can be maintained.

How to handle 2-(dimethoxyphosphorylsulfanylmethyl)-5-methoxypyran-4-one safely?

2-(dimethoxyphosphorylsulfanylmethyl)-5-methoxypyran-4-one requires strict safety precautions due to its Acute Tox. 3 classification and GHS06 pictogram. Essential protective equipment includes chemical-resistant gloves, safety goggles, and appropriate respiratory protection. Work should be conducted in well-ventilated areas or under fume hoods. Avoid skin contact, inhalation, and ingestion. Emergency procedures and safety data sheets must be readily available during handling operations.

How to store 2-(dimethoxyphosphorylsulfanylmethyl)-5-methoxypyran-4-one correctly?

2-(dimethoxyphosphorylsulfanylmethyl)-5-methoxypyran-4-one should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Due to its acute toxicity classification, storage areas must be secure and accessible only to trained personnel. Original containers should be kept properly labeled and stored according to local regulations for toxic substances. Regular inventory checks and proper segregation from other chemicals are essential.

What to do in case of contact with 2-(dimethoxyphosphorylsulfanylmethyl)-5-methoxypyran-4-one?

Immediate action is required following contact with 2-(dimethoxyphosphorylsulfanylmethyl)-5-methoxypyran-4-one due to its acute toxicity. For skin contact, remove contaminated clothing and rinse affected areas with plenty of water for at least 15 minutes. If inhaled, move to fresh air immediately. In case of eye contact, flush with water for 15 minutes. Seek immediate medical attention for all exposure routes and provide the safety data sheet to medical personnel.

How to dispose of 2-(dimethoxyphosphorylsulfanylmethyl)-5-methoxypyran-4-one appropriately?

2-(dimethoxyphosphorylsulfanylmethyl)-5-methoxypyran-4-one must be disposed of as hazardous waste according to local and European regulations due to its acute toxicity classification. Disposal should only be performed by licensed waste management companies specializing in toxic chemical waste. Never dispose of this substance through regular waste streams or sewage systems. Containers must be properly labeled and documented for traceability throughout the disposal process.

How to transport 2-(dimethoxyphosphorylsulfanylmethyl)-5-methoxypyran-4-one?

2-(dimethoxyphosphorylsulfanylmethyl)-5-methoxypyran-4-one is classified under ADR Class 6.1 (Toxic substances), Packing Group II, requiring specialized transport procedures. Shipments must use appropriate packaging, labeling, and documentation according to dangerous goods regulations. Only certified carriers qualified for toxic substance transport should handle shipments. Proper placarding, emergency response information, and compliance with international transport regulations are mandatory for safe transportation.

Is 2-(dimethoxyphosphorylsulfanylmethyl)-5-methoxypyran-4-one subject to specific regulations?

2-(dimethoxyphosphorylsulfanylmethyl)-5-methoxypyran-4-one is subject to various European chemical regulations including REACH and CLP due to its acute toxicity classification. While not currently listed as an SVHC substance, it requires safety data sheets, proper classification, and labeling. Users must comply with occupational health regulations and may need authorization for certain applications. Regular regulatory monitoring is essential as chemical legislation continues to evolve.

Where to buy 2-(dimethoxyphosphorylsulfanylmethyl)-5-methoxypyran-4-one in Europe?

2-(dimethoxyphosphorylsulfanylmethyl)-5-methoxypyran-4-one is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound with complete regulatory documentation, safety data sheets, and technical support to qualified customers. Due to the substance's acute toxicity classification, purchases are typically restricted to professional users with appropriate handling capabilities and regulatory compliance. Contact OYSI directly for availability and technical specifications.

Data Sources

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