Diethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane

C12H15N2O3PS

diethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane

CAS13593-03-8
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
13593-03-8
EC Number
237-031-6
UN Number
2783
Index Number
015-138-00-7
PubChem CID
26124

Physical-chemical properties

Molecular Formula
C12H15N2O3PS
Molar Mass
298.30 g/mol
IUPAC Name
diethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane

Chemical Identifiers

InChI
InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-12-9-13-10-7-5-6-8-11(10)14-12/h5-9H,3-4H2,1-2H3
InChI Key
JYQUHIFYBATCCY-UHFFFAOYSA-N

Overview

Diethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane (CAS 13593-03-8) is an organophosphorus compound with distinctive quinoxaline functionality and notable biological activity potential. This specialized phosphorus-containing heterocyclic compound represents a sophisticated example of modern organophosphorus chemistry, combining a quinoxaline ring system with phosphorothioate functionality. With the molecular formula C12H15N2O3PS and a molecular weight of 298.3 g/mol, this substance exhibits the structural complexity typical of advanced pharmaceutical intermediates and agricultural chemistry applications. The compound's unique architecture, featuring both nitrogen-containing heterocyclic and phosphorus-sulfur moieties, positions it within a specialized class of molecules that bridge traditional organophosphorus chemistry with modern heterocyclic pharmaceutical design. The substance presents significant safety considerations, classified under multiple acute toxicity categories (Acute Tox. 3 and 4) and requiring careful handling protocols. Its environmental classification as Aquatic Acute 1 and Aquatic Chronic 1 indicates substantial aquatic toxicity, necessitating appropriate containment and disposal procedures. The GHS06 and GHS09 pictograms reflect both its human health hazards and environmental risks, while its ADR Class 6.1 classification governs transport requirements for toxic substances. Industrial applications typically center around pharmaceutical intermediate synthesis and specialized agricultural chemistry, where the compound's unique reactivity profile proves valuable. The structural relationship to compounds like 4-diethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine demonstrates its position within broader organophosphate chemistry applications, particularly in bioactive molecule development. OYSI maintains strategic inventory of this specialized compound to support European chemical manufacturing and research applications, ensuring reliable supply for qualified industrial customers requiring this sophisticated organophosphorus intermediate.

Safety & Classification

Danger
Classification:

Acute Tox. 4 *; Acute Tox. 3 *; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H312

Harmful 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

Harmful

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 Number2783
ADR Class6.1
Packing GroupII
Tunnel CodeD/E
Proper Shipping NameQuinalphos (ISO), fest
Marine PollutantNo

Frequently Asked Questions

What is diethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane?

Diethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane is an organophosphorus compound with the molecular formula C12H15N2O3PS and CAS number 13593-03-8. This chemical substance has a molecular weight of 298.3 g/mol and contains quinoxaline and phosphane functional groups. It is classified as a hazardous substance with acute toxicity properties and environmental concerns, requiring careful handling and storage protocols in industrial applications.

What are the physicochemical properties of diethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane?

Diethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane has a molecular weight of 298.3 g/mol and molecular formula C12H15N2O3PS. As an organophosphorus compound containing quinoxaline groups, it likely exhibits moderate polarity due to the presence of nitrogen, oxygen, and phosphorus heteroatoms. The compound's physical state, exact melting point, boiling point, and solubility characteristics would require specific analytical testing for precise determination.

What is diethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane used for?

Diethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane is primarily used as a specialized organophosphorus reagent in chemical synthesis and research applications. Given its quinoxaline structure, it may serve as an intermediate in pharmaceutical research, agrochemical development, or as a specialized catalyst in organic chemistry. Its specific applications depend on the unique reactivity of its phosphane and quinoxaline functional groups in various chemical transformations.

How to handle diethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane safely?

Diethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane requires careful handling due to its Acute Tox. 4 and Acute Tox. 3 classifications. Essential safety measures include wearing appropriate personal protective equipment such as chemical-resistant gloves, safety goggles, and lab coats. Work in well-ventilated areas or under fume hoods to prevent inhalation exposure. The substance displays GHS06 (skull and crossbones) and GHS09 (environmental) pictograms, indicating both toxicity and environmental hazards.

How to store diethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane correctly?

Diethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane must be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly sealed and protected from moisture and heat sources. Due to its environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1), implement secondary containment measures to prevent environmental release. Store separately from oxidizing agents and ensure compliance with local chemical storage regulations for toxic substances.

What to do in case of contact with diethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane?

Immediate first aid measures for diethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane exposure include removing contaminated clothing and flushing affected skin or eyes with copious amounts of water for at least 15 minutes. If inhaled, move the person to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention. Given its acute toxicity classification, prompt medical evaluation is essential for all exposure routes. Contact poison control centers when necessary.

How to dispose of diethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane appropriately?

Diethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane requires disposal through licensed hazardous waste management facilities due to its acute toxicity and environmental hazard classifications. Never discharge into sewers, waterways, or soil due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications. Follow local and national regulations for toxic waste disposal. Containers should be triple-rinsed and disposed of according to hazardous waste protocols. Consult with environmental compliance specialists for proper disposal procedures.

How to transport diethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane?

Diethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane is classified under ADR Class 6.1 (toxic substances), Packing Group II, indicating moderate toxicity during transport. Packaging must comply with ADR regulations for toxic substances, including appropriate labeling with GHS06 and GHS09 pictograms. Transport vehicles must carry emergency response information and appropriate spill cleanup materials. Only use certified dangerous goods transporters familiar with Class 6.1 substance handling requirements.

Is diethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane subject to specific regulations?

Diethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane is subject to REACH registration requirements in Europe and CLP classification regulations. It is not currently listed as a SVHC (Substance of Very High Concern). The substance must comply with workplace safety regulations due to its acute toxicity classification and environmental protection laws due to its aquatic toxicity. Users must maintain safety data sheets and implement appropriate risk management measures according to regulatory requirements.

Where to buy diethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane in Europe?

Diethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane is available through OYSI, a specialized European distributor of technical chemicals and pharmaceutical intermediates. OYSI provides this organophosphorus compound to research institutions, pharmaceutical companies, and chemical manufacturers across Europe. As a regulated substance with specific handling requirements, purchase is typically restricted to qualified industrial users and research organizations with appropriate safety infrastructure and regulatory compliance capabilities.

Data Sources

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