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

CAS18854-01-8
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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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 with oxazole functionality and significant biological activity. This specialized phosphorus-containing compound features a unique molecular structure combining a phenyl-substituted oxazole ring with a phosphorothioate moiety. With the molecular formula C13H16NO4PS and a molecular weight of 313.31 g/mol, this substance represents an important class of organophosphorus chemicals used in various industrial applications. The compound's structure incorporates both sulfur and phosphorus heteroatoms, contributing to its distinctive chemical properties and reactivity profile. The substance presents significant safety considerations, classified under multiple acute toxicity categories (Acute Tox. 3) and environmental hazard classes (Aquatic Acute 1, Aquatic Chronic 1). The GHS06 skull and crossbones pictogram alongside GHS09 environmental hazard symbol reflect its potential dangers to both human health and aquatic ecosystems. Transport classification under ADR Class 6.1 indicates its status as a toxic substance requiring specialized handling protocols during shipping and storage. Due to its organophosphorus nature, this compound shares chemical characteristics with related substances such as propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate, though each maintains distinct properties and applications. The oxazole ring system differentiates it from simpler organophosphorus compounds, potentially offering unique reactivity patterns in synthetic chemistry applications. Primary industrial applications include use as a chemical intermediate in pharmaceutical synthesis, agricultural chemical production, and specialized organic synthesis processes. The compound's dual functionality makes it valuable for creating complex molecular architectures in fine chemical manufacturing. OYSI maintains reliable supply chains for this specialized organophosphorus compound, ensuring consistent availability for qualified industrial customers across European markets.

Safety & Classification

Danger
Classification:

Acute Tox. 3 *; Acute Tox. 3 *; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H311

Toxic in contact with skin.

H301

Toxic if swallowed.

H400

Very toxic to aquatic life.

H410

Very 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

Toxic

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

Toxic

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 GroupIII
Tunnel CodeE
Proper Shipping NameIsoxathion (ISO)
Marine PollutantNo

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 CAS number 18854-01-8 and molecular formula C13H16NO4PS. This chemical features a phosphane core structure combined with an oxazole ring system and phenyl group, giving it a molecular weight of 313.31 g/mol. It is classified as acutely toxic and poses significant environmental hazards to aquatic ecosystems.

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 has a molecular weight of 313.31 g/mol and contains phosphorus, sulfur, nitrogen, and oxygen atoms within its structure. As an organophosphorus compound with oxazole functionality, it likely exhibits moderate to low water solubility. The presence of ethoxy groups and aromatic phenyl substituent influences its physical properties and chemical reactivity patterns.

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 chemical intermediate in pharmaceutical and agrochemical synthesis. Its unique organophosphorus structure with oxazole functionality makes it valuable for developing pesticides, herbicides, and pharmaceutical compounds. The compound serves as a building block in complex organic synthesis processes requiring phosphorus-containing heterocyclic structures.

How to handle diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane safely?

Safe handling requires comprehensive personal protective equipment including chemical-resistant gloves, safety goggles, and respiratory protection due to its Acute Tox. 3 classification. Work should be conducted in well-ventilated areas or under fume extraction systems. Avoid skin contact, inhalation, and ingestion. Emergency washing facilities must be readily accessible. Training on proper handling procedures for acutely toxic substances is essential before use.

How to store diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane correctly?

Proper storage requires cool, dry, well-ventilated areas away from heat sources and incompatible materials. Containers must be tightly sealed and properly labeled with appropriate hazard warnings. Given its acute toxicity classification, access should be restricted to authorized personnel only. Storage areas should comply with local regulations for toxic substances and include appropriate emergency response equipment and spill containment measures.

What to do in case of contact with diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane?

Immediate action is critical due to acute toxicity. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water. In case of eye contact, rinse immediately with plenty of water for at least 15 minutes. If inhaled, move person to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention. Contact poison control center and provide safety data sheet information.

How to dispose of diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane appropriately?

Disposal must comply with local and national hazardous waste regulations due to its acute toxicity and environmental hazard classification. The substance requires treatment as toxic chemical waste and disposal through licensed hazardous waste contractors. Incineration at authorized facilities capable of handling organophosphorus compounds is typically required. Never dispose of via regular waste streams or drain systems due to aquatic toxicity concerns.

How to transport diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane?

Transportation falls under ADR Class 6.1 (toxic substances), Packing Group III regulations. Packages must bear appropriate dangerous goods labels including GHS06 and GHS09 pictograms with 'Danger' signal word. Proper shipping documentation, emergency response information, and driver training for toxic substance transport are mandatory. Vehicles must comply with ADR requirements for Class 6.1 substances including appropriate emergency equipment.

Is diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane subject to specific regulations?

Yes, the substance is subject to REACH registration requirements for chemical substances in Europe and must comply with CLP regulation for classification and labeling. While not currently listed as SVHC, its acute toxicity classification requires compliance with workplace safety regulations and environmental protection measures. Import/export may require permits due to its toxic nature, and users must maintain safety data sheets and exposure assessments.

Where to buy diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane in Europe?

OYSI serves as a reliable European distributor for diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane, providing chemical products across European markets. As a specialized chemical distributor, OYSI ensures proper handling, documentation, and regulatory compliance for this acute toxic substance. Contact OYSI directly for availability, technical specifications, safety data sheets, and regulatory documentation required for your specific application and jurisdiction.

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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.

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Data Sources

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