Methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate
C7H13O5PS
methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate
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Identification
- CAS Number
- 30864-28-9
- EC Number
- 250-366-2
- UN Number
- 3082
- Index Number
- 015-156-00-5
- PubChem CID
- 3034435
Physical-chemical properties
- Molecular Formula
- C7H13O5PS
- Molar Mass
- 240.22 g/mol
- IUPAC Name
- methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate
Chemical Identifiers
- InChI
- InChI=1S/C7H13O5PS/c1-6(7(8)9-2)5-12-13(14,10-3)11-4/h5H,1-4H3/b6-5+
- InChI Key
- NTAHCMPOMKHKEU-AATRIKPKSA-N
Overview
Methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate (CAS 30864-28-9) is an organophosphorus compound featuring both ester and phosphorothioate functional groups with moderate toxicity properties. This specialized organophosphorus compound, also identified by its EC number 250-366-2, represents a unique chemical structure combining phosphorothioate chemistry with methyl ester functionality. With a molecular formula of C7H13O5PS and molecular weight of 240.22 g/mol, this substance exhibits the characteristic properties of phosphorus-containing organic compounds. The (E)-configuration indicates the specific geometric arrangement of substituents around the double bond, which can significantly influence its chemical behavior and biological activity. From a safety perspective, this compound requires careful handling due to its classification under multiple hazard categories. The substance carries an Acute Tox. 4 classification with a Warning signal word, indicating moderate acute toxicity. It also demonstrates skin sensitization properties (Skin Sens. 1) and poses environmental concerns with both acute and chronic aquatic toxicity classifications. The presence of GHS07 and GHS09 pictogrammes emphasizes the need for appropriate personal protective equipment and environmental precautions during handling and storage. As a Class 9 ADR substance, it requires specific transportation protocols. In industrial applications, organophosphorus compounds like this one typically find use in specialized chemical synthesis, agricultural chemical intermediates, and as components in flame retardant formulations. The compound's unique structure makes it valuable in applications where both phosphorus functionality and ester reactivity are required. Unlike simpler compounds such as 4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate, this molecule offers more complex reactivity patterns due to its multiple functional groups. OYSI provides this technical-grade compound to qualified industrial customers across Europe, supporting various specialized chemical manufacturing processes.
Safety & Classification
Acute Tox. 4 *; Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1
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 | 3082 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Methacrifos (ISO), cis/trans-Isomere oder Isomerengemisch |
| Marine Pollutant | No |
Frequently Asked Questions
What is methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate?
Methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate is an organophosphorus compound with CAS number 30864-28-9 and molecular formula C7H13O5PS. This chemical has a molecular weight of 240.22 g/mol and features a phosphinothioyl group attached to a methylated propenoate backbone. It is classified as a hazardous substance with acute toxicity, skin sensitization potential, and aquatic toxicity properties.
What are the physicochemical properties of methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate?
Methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate has a molecular weight of 240.22 g/mol and contains phosphorus, sulfur, and oxygen functional groups. As an organophosphorus ester compound, it typically exists as a liquid at room temperature. The presence of methoxy groups and ester functionality suggests moderate polarity and potential solubility in organic solvents. Specific physical properties such as boiling point, density, and exact solubility parameters should be verified through technical documentation.
What is methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate used for?
Methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate is primarily used as an intermediate in chemical synthesis and pharmaceutical applications. Its organophosphorus structure makes it valuable in the development of pesticides, flame retardants, and specialty chemicals. The compound may also serve as a building block in organic synthesis for creating more complex molecules. Due to its specific chemical structure, it finds applications in research and development within the agrochemical and pharmaceutical industries.
How to handle methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate safely?
Methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate requires careful handling due to its Acute Tox. 4 and Skin Sens. 1 classifications. Always wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume extraction systems. Avoid skin contact and inhalation. Use proper handling techniques to prevent spills and ensure emergency procedures are readily available. Training on chemical handling protocols is essential before use.
How to store methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate correctly?
Methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate should be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers tightly sealed and properly labeled. Store away from oxidizing agents and strong bases due to the organophosphorus nature of the compound. Maintain storage temperatures as specified by the manufacturer and ensure compliance with local chemical storage regulations. Regular inspection of storage containers for leaks or deterioration is recommended.
What to do in case of contact with methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate?
In case of skin contact with methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. If eye contact occurs, rinse immediately with clean water for 15 minutes and seek medical attention. In case of inhalation, move to fresh air immediately. If ingestion occurs, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for specific first aid measures.
How to dispose of methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate appropriately?
Methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate must be disposed of as hazardous waste according to local and international regulations. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Do not discharge into sewers, waterways, or soil due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications. Follow all applicable waste codes and documentation requirements. Contaminated packaging should also be treated as hazardous waste and disposed of accordingly through authorized channels.
How to transport methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate?
Methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate is classified as ADR Class 9 (miscellaneous dangerous goods), Packing Group III. Transport must comply with ADR regulations for dangerous goods, including proper packaging, labeling, and documentation. Use UN-approved packaging and ensure proper placarding of transport vehicles. Drivers must have appropriate dangerous goods training and carry required transport documents. Ensure emergency response information is available during transport and follow all applicable international shipping regulations.
Is methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate subject to specific regulations?
Methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate is subject to CLP regulation with GHS07 and GHS09 pictograms and Warning signal word. It is not currently listed as a SVHC under REACH regulation. The compound must comply with standard chemical registration, evaluation, and authorization requirements in Europe. Users must follow occupational exposure limits, environmental discharge restrictions, and proper classification and labeling requirements. Always verify current regulatory status as requirements may change over time.
Where to buy methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate in Europe?
Methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this organophosphorus compound to industrial customers across Europe with proper documentation and regulatory compliance. As a professional chemical distributor, OYSI ensures quality standards and provides technical support for customers requiring this specialized intermediate. Contact OYSI directly for availability, specifications, and ordering information for your specific application requirements.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.