(E)-N-diethoxyphosphoryl-4-methyl-1,3-dithiolan-2-imine

C8H16NO3PS2

CAS950-10-7
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
950-10-7
EC Number
213-447-3
UN Number
3018
Index Number
015-094-00-9
PubChem CID
9568069

Physical-chemical properties

Molecular Formula
C8H16NO3PS2
Molar Mass
269.30 g/mol
IUPAC Name
(E)-N-diethoxyphosphoryl-4-methyl-1,3-dithiolan-2-imine

Chemical Identifiers

InChI
InChI=1S/C8H16NO3PS2/c1-4-11-13(10,12-5-2)9-8-14-6-7(3)15-8/h7H,4-6H2,1-3H3/b9-8+
InChI Key
LTQSAUHRSCMPLD-CMDGGOBGSA-N

Overview

(E)-N-diethoxyphosphoryl-4-methyl-1,3-dithiolan-2-imine (CAS 950-10-7) is an organophosphorus compound with dithiolan ring structure and significant acute toxicity properties. This specialized organophosphorus chemical compound features a unique molecular structure combining a phosphoryl group with a dithiolan ring system. With the molecular formula C8H16NO3PS2 and molecular weight of 269.3 g/mol, this substance represents an important class of organophosphorus derivatives used in industrial applications. The compound is also known by its EC number 213-447-3 and demonstrates characteristic properties typical of phosphorus-sulfur containing molecules. The substance presents significant safety considerations due to its classification under Acute Toxicity categories 1 and 2, requiring careful handling protocols and specialized storage conditions. Its hazard profile includes both acute toxicity to humans and chronic aquatic toxicity, necessitating appropriate environmental protection measures during use and disposal. The compound falls under ADR transport class 6.1, reflecting its toxic nature and requiring compliance with dangerous goods regulations. Unlike simpler compounds such as N-methylaniline, this organophosphorus derivative requires specialized handling expertise due to its complex molecular structure and enhanced toxicity profile. Industrial applications typically include use as an intermediate in specialized chemical synthesis processes, particularly in the development of agrochemical compounds and pharmaceutical intermediates. The compound also finds application in research and development activities within the organophosphorus chemistry sector. OYSI provides this technical-grade chemical compound to qualified industrial customers throughout Europe, ensuring compliance with all relevant safety and regulatory requirements for professional applications.

Safety & Classification

Danger
Classification:

Acute Tox. 1; Acute Tox. 2 *; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H310

Fatal in contact with skin.

H300

Fatal if swallowed.

H411

Toxic to aquatic life with long lasting effects.

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

Fatal

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

Fatal

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 GroupI
Tunnel CodeC/E
Proper Shipping NameMephosfolan (ISO)
Marine PollutantNo

Frequently Asked Questions

What is (E)-N-diethoxyphosphoryl-4-methyl-1,3-dithiolan-2-imine?

(E)-N-diethoxyphosphoryl-4-methyl-1,3-dithiolan-2-imine is an organophosphorus compound with the molecular formula C8H16NO3PS2 and CAS number 950-10-7. This chemical features a dithiolane ring structure with phosphoryl and imine functional groups. With a molecular weight of 269.3 g/mol, it belongs to the class of highly toxic substances requiring specialized handling due to its acute toxicity classification and potential environmental impact on aquatic systems.

What are the physicochemical properties of (E)-N-diethoxyphosphoryl-4-methyl-1,3-dithiolan-2-imine?

(E)-N-diethoxyphosphoryl-4-methyl-1,3-dithiolan-2-imine is a chemical compound with a molecular weight of 269.3 g/mol and formula C8H16NO3PS2. As an organophosphorus compound containing sulfur atoms, it likely exhibits moderate polarity due to its phosphoryl group. The presence of ethoxy groups and the dithiolane ring structure influence its solubility characteristics. Specific physical properties such as melting point, boiling point, and exact solubility data should be verified through technical documentation for precise handling requirements.

What is (E)-N-diethoxyphosphoryl-4-methyl-1,3-dithiolan-2-imine used for?

(E)-N-diethoxyphosphoryl-4-methyl-1,3-dithiolan-2-imine serves primarily as a specialized chemical intermediate in pharmaceutical and agrochemical synthesis. Its organophosphorus structure makes it valuable for developing pesticides, insecticides, or other bioactive compounds. The compound may also be utilized in research applications for studying organophosphorus chemistry or as a building block for more complex molecular structures. Given its high toxicity classification, its use is restricted to professional and industrial applications with appropriate safety measures.

How to handle (E)-N-diethoxyphosphoryl-4-methyl-1,3-dithiolan-2-imine safely?

(E)-N-diethoxyphosphoryl-4-methyl-1,3-dithiolan-2-imine requires extreme caution due to its Acute Tox. 1 classification. Essential personal protective equipment includes chemical-resistant gloves, full face protection, and appropriate respiratory protection. Work must be conducted in well-ventilated areas or under fume hoods. Avoid skin contact, inhalation, and ingestion completely. Use only in professional laboratory or industrial settings with trained personnel. Implement emergency procedures and ensure immediate access to safety shower and eyewash stations.

How to store (E)-N-diethoxyphosphoryl-4-methyl-1,3-dithiolan-2-imine correctly?

(E)-N-diethoxyphosphoryl-4-methyl-1,3-dithiolan-2-imine must be stored in a cool, dry, well-ventilated area away from incompatible materials. Use appropriate secondary containment and ensure containers are properly sealed and labeled. Store separately from oxidizing agents, acids, and bases to prevent dangerous reactions. Access should be restricted to authorized personnel only due to its high toxicity. Regular inspection of storage containers is essential to detect any deterioration or leakage. Follow local regulations for hazardous chemical storage requirements.

What to do in case of contact with (E)-N-diethoxyphosphoryl-4-methyl-1,3-dithiolan-2-imine?

Immediate action is critical if contact occurs with (E)-N-diethoxyphosphoryl-4-methyl-1,3-dithiolan-2-imine due to its extreme toxicity. For skin contact, remove contaminated clothing and rinse affected area with plenty of water for at least 15 minutes. If inhaled, move to fresh air immediately. For eye contact, flush thoroughly with water. Seek immediate medical attention in all cases of exposure. Do not induce vomiting if ingested. Contact poison control center and provide the safety data sheet to medical personnel.

How to dispose of (E)-N-diethoxyphosphoryl-4-methyl-1,3-dithiolan-2-imine appropriately?

(E)-N-diethoxyphosphoryl-4-methyl-1,3-dithiolan-2-imine requires disposal as hazardous waste through licensed waste management companies. Never dispose of this highly toxic substance in regular waste streams or sewage systems due to its environmental classification (Aquatic Chronic 2). Incineration at high temperatures in specialized facilities may be required. Consult local environmental authorities for specific disposal requirements and obtain proper waste codes. Maintain detailed records of disposal activities and ensure compliance with European waste regulations including the Waste Framework Directive.

How to transport (E)-N-diethoxyphosphoryl-4-methyl-1,3-dithiolan-2-imine?

(E)-N-diethoxyphosphoryl-4-methyl-1,3-dithiolan-2-imine is classified under ADR Class 6.1 (Toxic substances) Packing Group I, indicating maximum danger level for toxic materials. Transportation requires UN-approved packaging and proper hazard labeling with GHS06 (skull and crossbones) and GHS09 (environmental) pictograms. Vehicles must carry appropriate emergency equipment and documentation. Only authorized carriers experienced in handling highly toxic chemicals should transport this substance. Strict adherence to ADR regulations is mandatory for European transport.

Is (E)-N-diethoxyphosphoryl-4-methyl-1,3-dithiolan-2-imine subject to specific regulations?

(E)-N-diethoxyphosphoryl-4-methyl-1,3-dithiolan-2-imine is subject to strict European chemical regulations under REACH and CLP frameworks. Its classification as Acute Tox. 1 requires comprehensive safety data sheets and restricted access. While not currently listed as SVHC (Substance of Very High Concern), its extreme toxicity means it falls under stringent occupational exposure limits and handling requirements. Users must comply with national poison center notification requirements and maintain detailed usage records for regulatory compliance and worker protection.

Where to buy (E)-N-diethoxyphosphoryl-4-methyl-1,3-dithiolan-2-imine in Europe?

(E)-N-diethoxyphosphoryl-4-methyl-1,3-dithiolan-2-imine is available through OYSI, a specialized European distributor of technical chemicals. As a highly regulated substance requiring professional handling, it is only supplied to qualified industrial and research customers with appropriate safety certifications. OYSI ensures full regulatory compliance and provides comprehensive documentation including safety data sheets. Due to its extreme toxicity classification, purchasers must demonstrate proper storage facilities, handling capabilities, and waste disposal arrangements before orders can be processed.

Data Sources

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