(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 high acute toxicity classification. This specialized organophosphorus compound features a unique molecular structure combining a phosphoryl group with a five-membered dithiolan ring system. With the molecular formula C8H16NO3PS2 and molecular weight of 269.3 g/mol, this substance exhibits distinct chemical properties due to its sulfur-containing heterocyclic framework and phosphonate functionality. The compound is classified under EC number 213-447-3 and presents significant safety considerations requiring careful handling protocols. The substance carries acute toxicity classifications (Acute Tox. 1 and Acute Tox. 2) along with aquatic chronic toxicity rating (Aquatic Chronic 2), necessitating strict safety measures during storage, handling, and transportation. The "Danger" signal word and associated GHS pictograms (GHS06 for acute toxicity, GHS09 for environmental hazards) emphasize the critical importance of proper safety equipment and trained personnel. Transportation falls under ADR class 6.1, reflecting its toxic properties. Industrial applications typically include use as an intermediate in organophosphorus synthesis, particularly in agricultural chemical manufacturing and specialized pharmaceutical intermediates. The compound's unique dithiolan structure makes it valuable in research applications focused on sulfur-phosphorus chemistry, distinguishing it from simpler compounds like N-methylaniline or phenylhydrazine which lack this complex ring system. Due to its high toxicity profile, this compound requires specialized handling expertise and regulatory compliance throughout the supply chain. OYSI provides technical-grade (E)-N-diethoxyphosphoryl-4-methyl-1,3-dithiolan-2-imine with comprehensive safety documentation and regulatory support for qualified industrial customers across Europe.

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 substance has a molecular weight of 269.3 g/mol and contains both phosphorus and sulfur functional groups in its structure. It is classified as a highly toxic substance with acute toxicity properties and potential environmental hazards to aquatic life.

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 an organophosphorus compound with a molecular weight of 269.3 g/mol and molecular formula C8H16NO3PS2. The substance contains phosphoryl, dithiolan, and imine functional groups, which influence its chemical behavior and reactivity. Specific physical properties such as melting point, boiling point, and solubility characteristics would need to be determined through analytical testing or consultation of detailed technical data sheets.

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

(E)-N-diethoxyphosphoryl-4-methyl-1,3-dithiolan-2-imine is primarily used as an intermediate in chemical synthesis and research applications. Due to its organophosphorus structure, it may serve as a building block for the production of specialized chemicals, pharmaceuticals, or agricultural compounds. Its specific applications are typically limited to professional industrial settings and research laboratories due to its high toxicity classification and specialized chemical properties.

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 during handling due to its Acute Tox. 1 and 2 classifications. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, respiratory protection, and full protective clothing. Work must be conducted in well-ventilated areas or under fume hoods. Avoid skin contact, inhalation, and ingestion. Only trained personnel should handle this substance following strict safety protocols and emergency procedures.

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 secure, well-ventilated area away from incompatible materials. Storage should be in original containers with appropriate labeling and secondary containment. Due to its high toxicity classification (Acute Tox. 1), access should be restricted to authorized personnel only. Store away from heat sources, oxidizing agents, and moisture. Temperature and humidity conditions should be controlled according to manufacturer specifications.

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

Immediate action is critical due to the substance's high toxicity. For skin contact, remove contaminated clothing and wash affected area with plenty of water for at least 15 minutes. If inhaled, move to fresh air immediately. For eye contact, flush with water for 15 minutes. In case of ingestion, do not induce vomiting. Seek immediate medical attention in all cases and provide the safety data sheet to medical personnel. Call emergency services if serious exposure occurs.

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 must be disposed of as hazardous waste through authorized waste management companies. Due to its high toxicity and environmental hazard classification, it cannot be disposed of with regular waste. Disposal must comply with local, national, and EU waste regulations. Empty containers should also be treated as hazardous waste. Professional waste handlers experienced with toxic organophosphorus compounds should manage the disposal process.

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 the highest level of toxicity. Transportation requires specialized packaging, proper labeling with GHS06 and GHS09 pictograms, and appropriate shipping documentation. Only certified carriers experienced with highly toxic materials should handle transport. Emergency response information must accompany shipments, and specific routing restrictions may apply depending on local regulations.

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 EU REACH and CLP regulations due to its chemical nature and hazard classification. While not currently listed as an SVHC substance, its Acute Tox. 1 classification means strict handling and use restrictions apply. Users must comply with occupational exposure limits, safety data sheet requirements, and notification obligations. Special permits may be required for certain applications, and regular monitoring of workplace exposure may be mandatory.

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. Due to its high toxicity classification and restricted nature, this substance is only supplied to qualified professional users with appropriate safety infrastructure and regulatory compliance. OYSI provides full technical support, safety documentation, and regulatory guidance for customers requiring this specialized organophosphorus compound for research or industrial applications.

Data Sources

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