Diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane
C13H16NO4PS
diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane
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Identification
- CAS Number
- 18854-01-8
- EC Number
- 242-624-8
- UN Number
- 3018
- Index Number
- 015-131-00-9
- PubChem CID
- 29307
Physical-chemical properties
- Molecular Formula
- C13H16NO4PS
- Molar Mass
- 313.31 g/mol
- IUPAC Name
- diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane
Chemical Identifiers
- InChI
- InChI=1S/C13H16NO4PS/c1-3-15-19(20,16-4-2)18-13-10-12(17-14-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
- InChI Key
- SDMSCIWHRZJSRN-UHFFFAOYSA-N
Overview
Diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane (CAS 18854-01-8) is an organophosphorus compound featuring both oxazole and phosphorothioate functional groups with significant biological activity. This specialized organophosphorus compound, with the molecular formula C13H16NO4PS and a molecular weight of 313.31 g/mol, represents a sophisticated chemical structure combining a phenyl-substituted oxazole ring with a phosphorothioate moiety. The compound is characterized by its diethoxy phosphorus center linked through an oxygen bridge to a 5-phenyl-1,2-oxazole ring system, creating a unique chemical architecture that imparts specific reactivity and biological properties. The substance exhibits significant toxicological properties, classified under Acute Toxicity Category 3 with the "Danger" signal word and displaying both skull and crossbones (GHS06) and environmental hazard (GHS09) pictograms. Its classification as Aquatic Acute 1 and Aquatic Chronic 1 indicates substantial environmental concerns, requiring careful handling and disposal protocols. The ADR Class 6.1 designation reflects its toxic nature during transportation, necessitating specialized shipping procedures and documentation. This compound belongs to a broader family of organophosphorus chemicals that includes related structures such as propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate, which shares similar phosphorothioate functionality. The oxazole ring system distinguishes it from simpler organophosphorus compounds, potentially offering enhanced selectivity in biological applications. Primary industrial applications include specialized agricultural formulations, pharmaceutical intermediates, and research applications in biochemical studies. The compound's unique structural features make it valuable in developing targeted bioactive molecules and studying phosphorus-nitrogen heterocyclic chemistry. OYSI maintains reliable supply chains for this specialized organophosphorus compound, ensuring consistent availability for qualified industrial and research customers throughout Europe.
Safety & Classification
Acute Tox. 3 *; Acute Tox. 3 *; 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 | 3018 |
| ADR Class | 6.1 |
| Packing Group | III |
| Tunnel Code | E |
| Proper Shipping Name | Isoxathion (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane?
Diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane is an organophosphorus compound with the molecular formula C13H16NO4PS and CAS number 18854-01-8. This chemical features a phosphorus center bonded to diethoxy groups and a phenyl-substituted oxazole ring system. With a molecular weight of 313.31 g/mol, it belongs to the class of phosphorothioate derivatives and is classified as a hazardous substance requiring careful handling due to its acute toxicity and environmental impact.
What are the physicochemical properties of diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane?
Diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane is an organophosphorus compound with a molecular weight of 313.31 g/mol and formula C13H16NO4PS. The compound contains both hydrophobic aromatic components and polar phosphate groups, which influence its solubility characteristics. As a phosphorothioate derivative with an oxazole ring system, it exhibits stability under normal conditions but requires protection from moisture and extreme temperatures. Its physicochemical behavior is typical of organophosphorus compounds used in specialized chemical applications.
What is diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane used for?
Diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane is primarily used as a specialized intermediate in pharmaceutical and agrochemical synthesis. Its unique phosphorothioate structure with an oxazole ring makes it valuable for developing bioactive compounds and pesticide formulations. The compound serves as a building block in organic synthesis, particularly in reactions requiring phosphorus-containing functionalities. Industrial applications include use in research laboratories and chemical manufacturing facilities producing fine chemicals and active pharmaceutical ingredients.
How to handle diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane safely?
Diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane requires strict safety measures due to its Acute Tox. 3 classification and Danger signal word. Essential PPE includes chemical-resistant gloves, safety goggles, and respiratory protection when handling. Work must be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid skin and eye contact, and ensure emergency eyewash stations are accessible. The compound displays GHS06 and GHS09 pictogrammes, indicating both toxicity and environmental hazards requiring careful containment.
How to store diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane correctly?
Diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane must be stored in a cool, dry place away from direct sunlight and heat sources. Storage areas should be well-ventilated and equipped with spill containment measures due to its environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1). Keep containers tightly sealed to prevent moisture ingress and contamination. Store separately from incompatible materials such as strong oxidizers and bases. Access should be restricted to trained personnel, and storage areas must comply with local regulations for toxic substances.
What to do in case of contact with diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane?
Immediate action is required if contact occurs with diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane due to its Acute Tox. 3 classification. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. In case of eye contact, rinse immediately with clean water for 15-20 minutes and remove contact lenses if present. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention. Always consult a poison control center or physician.
How to dispose of diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane appropriately?
Diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane requires specialized disposal as hazardous waste due to its toxicity and environmental impact classifications. Disposal must comply with local, national, and EU waste regulations, particularly those governing toxic substances (Acute Tox. 3) and environmentally hazardous materials (Aquatic Acute 1, Aquatic Chronic 1). Contact licensed hazardous waste disposal companies for proper treatment and destruction. Never dispose of in regular waste streams, sewers, or waterways. Maintain detailed disposal records and ensure proper waste classification codes are used.
How to transport diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane?
Diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane is classified under ADR Class 6.1 (Toxic substances), Packing Group III for transportation purposes. Transport must comply with dangerous goods regulations using appropriate UN-approved packaging and labeling. Vehicles must carry proper documentation including transport documents and emergency response information. Drivers require ADR certification for Class 6.1 materials. Packages must display the required hazard labels (toxic substance pictogrammes) and proper shipping names. Ensure adequate segregation from incompatible materials during transport and follow routing restrictions for toxic goods.
Is diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane subject to specific regulations?
Diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane is not currently identified as a Substance of Very High Concern (SVHC) under REACH regulation. However, it remains subject to standard REACH registration requirements, CLP classification and labeling obligations, and ADR transport regulations due to its Class 6.1 classification. The compound must comply with occupational exposure limits and environmental protection measures given its aquatic toxicity classifications. Users must maintain safety data sheets, implement appropriate risk management measures, and ensure worker protection according to EU chemical safety legislation.
Where to buy diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane in Europe?
Diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane is available through OYSI, a specialized European distributor of technical chemicals and laboratory reagents. OYSI provides this compound to qualified industrial customers, research institutions, and chemical manufacturers across Europe. As a regulated substance requiring proper handling credentials, purchases are subject to end-use verification and appropriate documentation. Contact OYSI directly for availability, technical specifications, and regulatory compliance support. The compound is typically supplied in appropriate packaging meeting ADR Class 6.1 transport requirements and safety standards.
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Diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane 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.