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 featuring both phosphoryl and dithiolan ring functionalities with significant toxicological properties. This specialized chemical compound belongs to the organophosphorus family, characterized by its unique molecular structure containing a five-membered dithiolan ring system combined with a diethoxyphosphoryl group. With a molecular formula of C7H14NO3PS2 and molecular weight of 255.3 g/mol, this substance exhibits distinct chemical properties that make it valuable for specific industrial applications. The compound's structure incorporates sulfur, phosphorus, and nitrogen heteroatoms, contributing to its reactivity profile and functional versatility. From a safety perspective, N-diethoxyphosphoryl-1,3-dithiolan-2-imine requires careful handling due to its classification as Acute Tox. 1 and Acute Tox. 2, warranting the "Danger" signal word and GHS06 pictogram. The substance falls under ADR Class 6.1, indicating its toxic nature and the need for specialized transport and storage protocols. These toxicological properties are not uncommon among organophosphorus compounds, similar to related substances such as 2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine, which also contains phosphoryl functionality. Industrial applications for this compound typically include use as an intermediate in pharmaceutical synthesis, agricultural chemical production, and specialized organic synthesis processes where the unique dithiolan-phosphoryl combination provides specific reactivity patterns. The compound's dual functional groups make it particularly useful in multi-step synthetic pathways requiring selective transformations. OYSI maintains availability of N-diethoxyphosphoryl-1,3-dithiolan-2-imine for qualified industrial customers, ensuring compliance with all relevant safety and regulatory requirements throughout the European market.
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 functional groups within its heterocyclic structure. It is classified as a highly toxic substance under GHS regulations, requiring extreme caution during handling and use in industrial applications.
What are the physicochemical properties of N-diethoxyphosphoryl-1,3-dithiolan-2-imine?
N-diethoxyphosphoryl-1,3-dithiolan-2-imine has a molecular weight of 255.3 g/mol and molecular formula C7H14NO3PS2. The compound contains phosphorus, sulfur, nitrogen, and oxygen atoms arranged in a complex heterocyclic structure. As an organophosphorus compound with dithiolan rings, it likely exhibits moderate to low volatility. Specific physical properties such as melting point, boiling point, and solubility data should be consulted from detailed technical datasheets for precise handling requirements.
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. Given its organophosphorus structure, it may serve as a building block for developing pesticides, pharmaceuticals, or specialized chemical compounds. Its unique dithiolan ring system makes it valuable for specific synthetic pathways in fine chemical manufacturing. However, due to its high toxicity classification, its use is restricted to professional industrial applications with appropriate safety measures.
How to handle N-diethoxyphosphoryl-1,3-dithiolan-2-imine safely?
N-diethoxyphosphoryl-1,3-dithiolan-2-imine requires extreme safety precautions due to its Acute Toxicity Category 1 and 2 classifications. Personal protective equipment must include chemical-resistant gloves, safety goggles, and respiratory protection. Work should be conducted in well-ventilated areas or under fume hoods. Avoid skin contact, inhalation, and ingestion completely. Only trained personnel should handle this substance, and emergency procedures must be readily available. All local safety regulations and material safety data sheets must be strictly followed.
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 heat sources and incompatible materials. Given its high toxicity, storage should be in secured areas accessible only to authorized personnel. Containers must be tightly sealed and properly labeled with appropriate hazard warnings. The storage area should be equipped with appropriate spill containment measures and emergency equipment. Temperature and humidity control may be necessary to maintain chemical stability and prevent degradation.
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 thoroughly with water for at least 15 minutes. If inhaled, move to fresh air immediately and seek medical care. For eye contact, flush with water for 15 minutes and remove contact lenses if present. If ingested, do not induce vomiting and seek emergency medical treatment immediately. Always contact poison control centers for specific guidance.
How to dispose of N-diethoxyphosphoryl-1,3-dithiolan-2-imine appropriately?
N-diethoxyphosphoryl-1,3-dithiolan-2-imine must be disposed of through licensed hazardous waste management companies due to its high toxicity classification. The substance cannot be disposed of in regular waste streams or sewage systems. Disposal must comply with local, national, and EU regulations for toxic substances. Containers should be properly labeled and documented for waste tracking. Incineration at authorized facilities capable of handling organophosphorus compounds is typically required, following all applicable environmental and safety regulations.
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 maximum transport restrictions due to high toxicity. Transportation requires specialized packaging, labeling with GHS06 pictograms, and proper shipping documentation. Only certified carriers experienced in handling toxic chemicals should transport this substance. Emergency response information must accompany shipments, and specific routing restrictions may apply. All ADR regulations for toxic substances must be strictly followed during transportation.
Is N-diethoxyphosphoryl-1,3-dithiolan-2-imine subject to special regulations?
N-diethoxyphosphoryl-1,3-dithiolan-2-imine is subject to strict regulatory oversight under EU CLP regulation due to its Acute Toxicity Categories 1 and 2 classifications. While not currently listed as an SVHC under REACH, its high toxicity means it falls under various chemical safety regulations. Import, handling, and use may require special permits or notifications to regulatory authorities. Companies must maintain detailed safety data sheets and ensure compliance with occupational exposure limits and worker protection requirements.
Where to buy N-diethoxyphosphoryl-1,3-dithiolan-2-imine in Europe?
N-diethoxyphosphoryl-1,3-dithiolan-2-imine is available through OYSI, a specialized European distributor of technical chemical products. As a highly toxic substance requiring expert handling, it is only supplied to qualified industrial customers with appropriate safety infrastructure and regulatory compliance. OYSI provides comprehensive technical support and ensures proper packaging and transportation according to ADR regulations. Customers must demonstrate legitimate industrial use and compliance with all applicable safety and regulatory requirements before purchase approval.
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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.