N-diethoxyphosphoryl-1,3-dithiolan-2-imine
C7H14NO3PS2
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Identification
- CAS Number
- 947-02-4
- EC Number
- 213-423-2
- UN Number
- 2783
- Index Number
- 015-111-00-X
- PubChem CID
- 13689
Physical-chemical properties
- Molecular Formula
- C7H14NO3PS2
- Molar Mass
- 255.30 g/mol
- IUPAC Name
- N-diethoxyphosphoryl-1,3-dithiolan-2-imine
Chemical Identifiers
- InChI
- InChI=1S/C7H14NO3PS2/c1-3-10-12(9,11-4-2)8-7-13-5-6-14-7/h3-6H2,1-2H3
- InChI Key
- ILBONRFSLATCRE-UHFFFAOYSA-N
Overview
N-diethoxyphosphoryl-1,3-dithiolan-2-imine (CAS 947-02-4) is an organophosphorus compound with high acute toxicity classification and specialized industrial applications. This complex organophosphorus molecule, with molecular formula C7H14NO3PS2 and molecular weight 255.3 g/mol, represents a sophisticated chemical structure combining phosphoryl, imine, and dithiolane functionalities. The compound's unique architecture features a five-membered dithiolane ring system linked to a diethoxyphosphoryl group through an imine bridge, creating distinct chemical properties that distinguish it from related compounds in the organophosphorus family. The substance carries significant safety considerations, classified under Acute Toxicity Categories 1 and 2, requiring the GHS06 skull and crossbones pictogram and "Danger" signal word. Its ADR classification as Class 6.1 reflects its toxic nature, necessitating specialized handling protocols and regulatory compliance measures throughout storage, transportation, and industrial use. These stringent safety requirements underscore the importance of proper risk assessment and protective measures when working with this material. Industrial applications typically leverage the compound's unique organophosphorus properties in specialized chemical synthesis processes and pharmaceutical intermediate production. The molecule's structural complexity makes it valuable in research applications where precise molecular architecture is required. While sharing some characteristics with related organophosphorus compounds like 2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine, its specific dithiolane-imine structure provides distinct reactivity profiles suited to particular synthetic pathways. OYSI maintains availability of N-diethoxyphosphoryl-1,3-dithiolan-2-imine for qualified industrial customers across Europe, ensuring reliable supply chains for specialized chemical manufacturing and research applications requiring this sophisticated organophosphorus compound.
Safety & Classification
Acute Tox. 1; Acute Tox. 2 *
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
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
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
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 Number | 2783 |
| ADR Class | 6.1 |
| Packing Group | I |
| Tunnel Code | C/E |
| Proper Shipping Name | Phosfolan (ISO), fest |
| Marine Pollutant | No |
Frequently Asked Questions
What is N-diethoxyphosphoryl-1,3-dithiolan-2-imine?
N-diethoxyphosphoryl-1,3-dithiolan-2-imine is an organophosphorus compound with the molecular formula C7H14NO3PS2 and CAS number 947-02-4. This chemical substance has a molecular weight of 255.3 g/mol and contains both phosphorus and sulfur atoms in its structure. It is classified as a highly toxic substance with Acute Tox. 1 and Acute Tox. 2 classifications, requiring careful handling and safety precautions in industrial applications.
What are the physicochemical properties of N-diethoxyphosphoryl-1,3-dithiolan-2-imine?
N-diethoxyphosphoryl-1,3-dithiolan-2-imine is an organophosphorus compound with a molecular weight of 255.3 g/mol and the molecular formula C7H14NO3PS2. The substance contains phosphorus, sulfur, nitrogen, and oxygen atoms in its molecular structure. Due to its organophosphorus nature and the presence of ethoxy groups, it is likely to have specific solubility characteristics and stability requirements that must be considered during handling and storage.
What is N-diethoxyphosphoryl-1,3-dithiolan-2-imine used for?
N-diethoxyphosphoryl-1,3-dithiolan-2-imine is primarily used as a chemical intermediate in organic synthesis and pharmaceutical research applications. Its organophosphorus structure makes it valuable in specialized chemical processes and laboratory research. The compound may serve as a building block for more complex molecules or as a reagent in specific chemical reactions. Given its high toxicity classification, its use is restricted to professional industrial and research environments with appropriate safety controls.
How to handle N-diethoxyphosphoryl-1,3-dithiolan-2-imine safely?
N-diethoxyphosphoryl-1,3-dithiolan-2-imine requires extreme caution due to its Acute Tox. 1 and Acute Tox. 2 classifications and GHS06 pictogram indicating fatal toxicity. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and respiratory protection. Work must be conducted in well-ventilated areas or under fume hoods. Avoid skin and eye contact, inhalation, and ingestion. Only trained personnel should handle this substance following strict safety protocols and emergency procedures.
How to store N-diethoxyphosphoryl-1,3-dithiolan-2-imine correctly?
N-diethoxyphosphoryl-1,3-dithiolan-2-imine must be stored in a cool, dry, well-ventilated area away from incompatible materials and ignition sources. The storage area should be secure and accessible only to authorized personnel due to its high toxicity classification. Original containers should be kept tightly sealed and properly labeled. Given its organophosphorus nature, avoid storage near strong bases, acids, or oxidizing agents. Regular inspection of containers for leaks or damage is essential.
What to do in case of contact with N-diethoxyphosphoryl-1,3-dithiolan-2-imine?
Immediate medical attention is required for any exposure to N-diethoxyphosphoryl-1,3-dithiolan-2-imine due to its extreme toxicity. For skin contact, remove contaminated clothing and rinse immediately with plenty of water. In case of eye contact, flush with water for at least 15 minutes. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek emergency medical care. Contact poison control center and provide the safety data sheet to medical personnel.
How to dispose of N-diethoxyphosphoryl-1,3-dithiolan-2-imine properly?
N-diethoxyphosphoryl-1,3-dithiolan-2-imine must be disposed of as hazardous waste through licensed waste disposal companies in accordance with local and EU regulations. The substance cannot be disposed of in regular waste streams due to its high toxicity classification. Waste containers should be properly labeled and segregated from other waste types. Contact specialized hazardous waste disposal services and provide them with the safety data sheet for proper treatment and disposal methods.
How to transport N-diethoxyphosphoryl-1,3-dithiolan-2-imine?
N-diethoxyphosphoryl-1,3-dithiolan-2-imine is classified under ADR Class 6.1 (toxic substances) Packing Group I, indicating the highest level of danger for transport. Transportation requires specialized packaging, proper labeling with toxic substance markings, and compliance with dangerous goods regulations. Only certified carriers with appropriate licenses for toxic materials can transport this substance. Proper documentation, emergency response information, and trained personnel are mandatory for safe transportation throughout Europe.
Is N-diethoxyphosphoryl-1,3-dithiolan-2-imine subject to specific regulations?
N-diethoxyphosphoryl-1,3-dithiolan-2-imine is subject to strict regulatory controls under EU CLP regulation due to its Acute Tox. 1 and Acute Tox. 2 classifications. REACH registration requirements apply for commercial use. The substance is not currently listed as an SVHC (Substance of Very High Concern). Transport regulations under ADR Class 6.1 Group I must be followed. National poison control notification may be required, and workplace exposure limits and monitoring protocols must be implemented.
Where to buy N-diethoxyphosphoryl-1,3-dithiolan-2-imine in Europe?
N-diethoxyphosphoryl-1,3-dithiolan-2-imine is available through OYSI, a European distributor of specialty chemical products. As an authorized supplier, OYSI ensures proper handling, documentation, and compliance with EU regulations for this highly toxic substance. Professional customers can contact OYSI for availability, technical specifications, and safety documentation. Given the substance's high toxicity classification, purchases are restricted to qualified industrial users and research institutions with appropriate safety facilities and trained personnel.
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N-diethoxyphosphoryl-1,3-dithiolan-2-imine is a dangerous good. We support you with labeling, packaging, and transport documentation.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.