3-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one
C12H16N3O3PS2
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Identification
- CAS Number
- 2642-71-9
- EC Number
- 220-147-6
- UN Number
- 2783
- Index Number
- 015-056-00-1
- PubChem CID
- 17531
Physical-chemical properties
- Molecular Formula
- C12H16N3O3PS2
- Molar Mass
- 345.40 g/mol
- IUPAC Name
- 3-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one
Chemical Identifiers
- InChI
- InChI=1S/C12H16N3O3PS2/c1-3-17-19(20,18-4-2)21-9-15-12(16)10-7-5-6-8-11(10)13-14-15/h5-8H,3-4,9H2,1-2H3
- InChI Key
- RQVGAIADHNPSME-UHFFFAOYSA-N
Overview
3-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one (CAS 2642-71-9) is an organophosphorus compound featuring a benzotriazinone core structure with distinctive phosphinothioyl functionality. This specialized chemical compound, identified by EC number 220-147-6, represents a unique class of organophosphorus derivatives combining benzotriazinone and phosphinothioyl chemical moieties. With a molecular formula of C12H16N3O3PS2 and molecular weight of 345.4 g/mol, this substance exhibits complex structural characteristics that contribute to its specific chemical behavior and industrial applications. The compound presents significant safety considerations, classified under multiple acute toxicity categories (Acute Tox. 2 and 3) and environmental hazard classifications (Aquatic Acute 1, Aquatic Chronic 1). These classifications necessitate careful handling protocols, as indicated by the "Danger" signal word and associated GHS06 (skull and crossbones) and GHS09 (environmental) pictograms. Transportation falls under ADR Class 6.1, reflecting its toxic properties requiring specialized logistics management. From a structural perspective, this benzotriazinone derivative shares chemical similarities with other organophosphorus compounds such as 2-(2-chloro-1-diethoxyphosphinothioylsulfanylethyl)isoindole-1,3-dione, which also features diethoxyphosphinothioyl functionality, though with different heterocyclic core structures. Industrial applications typically include specialized chemical synthesis processes, advanced materials development, and research applications requiring precise organophosphorus chemistry. The unique combination of nitrogen-containing heterocycle and phosphorus-sulfur functionality makes it valuable for pharmaceutical intermediates and specialty chemical manufacturing. OYSI maintains reliable supply chains for this technical-grade compound, ensuring consistent availability for European industrial customers requiring high-quality organophosphorus chemicals for their specialized applications.
Safety & Classification
Acute Tox. 3 *; Acute Tox. 2 *; 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 | 2783 |
| ADR Class | 6.1 |
| Packing Group | II |
| Tunnel Code | D/E |
| Proper Shipping Name | Azinphos-ethyl (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is 3-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one?
3-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one is an organophosphorus compound with the molecular formula C12H16N3O3PS2 and CAS number 2642-71-9. This chemical substance has a molecular weight of 345.4 g/mol and contains a benzotriazinone core structure linked to a phosphinothioyl group. It is classified as a highly toxic substance requiring careful handling and specialized safety measures due to its acute toxicity properties and environmental hazards.
What are the physicochemical properties of 3-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one?
3-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one is a complex organophosphorus compound with a molecular weight of 345.4 g/mol. The substance contains both phosphorus and sulfur atoms within its structure, giving it distinctive chemical properties. As an organophosphorus derivative, it typically exhibits limited water solubility but may be soluble in organic solvents. The compound's physical appearance, odor, and specific solubility parameters should be confirmed through technical data sheets from suppliers.
What is 3-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one used for?
3-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one is primarily used as an intermediate in chemical synthesis and pharmaceutical research. Given its organophosphorus structure containing benzotriazinone moiety, it may serve as a building block for developing bioactive compounds or specialized chemical products. The substance is typically employed in controlled laboratory environments and industrial processes where its specific chemical properties are required for synthesis reactions or as a research compound in academic and pharmaceutical applications.
How to handle 3-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one safely?
3-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one requires strict safety protocols due to its Acute Tox. 2 and 3 classifications. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and respiratory protection. Work must be conducted in well-ventilated areas or under fume hoods. Avoid skin and eye contact, inhalation, and ingestion. Implement proper hygiene measures, including thorough handwashing after handling. Emergency procedures and safety data sheets should be readily available to all personnel working with this hazardous substance.
How to store 3-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one correctly?
3-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one must be stored in a secure, well-ventilated area away from incompatible materials. Keep containers tightly sealed and store in original packaging at controlled temperatures. Due to its acute toxicity classification, implement restricted access protocols and appropriate warning signage. Separate from oxidizing agents, strong acids, and bases. Ensure storage areas have appropriate spill containment measures and emergency response equipment readily available for handling potential incidents.
What to do in case of contact with 3-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one?
Immediate action is critical due to the substance's high toxicity classification. For skin contact, remove contaminated clothing and rinse thoroughly with water for at least 15 minutes. If inhaled, move to fresh air immediately and seek medical attention. For eye contact, flush with clean water for 15 minutes and remove contact lenses if present. If ingested, do not induce vomiting and seek immediate medical care. In all cases, contact poison control or emergency services promptly and provide the safety data sheet to medical personnel.
How to dispose of 3-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one appropriately?
3-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one requires specialized hazardous waste disposal due to its acute toxicity and environmental hazard classifications. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Never dispose of in regular waste streams, sewers, or the environment. Contaminated packaging and materials must also be treated as hazardous waste. Follow local and national regulations for hazardous chemical disposal, and maintain proper documentation of disposal procedures for regulatory compliance.
How to transport 3-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one?
3-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one is classified under ADR Class 6.1 (toxic substances), Packing Group II, indicating significant transport hazards. Shipments require appropriate UN-specification packaging, proper labeling with GHS06 and GHS09 pictograms, and transport documentation. Only trained personnel should handle transportation, and vehicles must display appropriate hazard placards. Carriers must have emergency response procedures and spill containment materials available during transport. Ensure compliance with international dangerous goods regulations for safe transportation.
Is 3-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one subject to specific regulations?
3-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one is subject to REACH registration requirements in Europe and CLP classification as a hazardous substance. While not currently listed as an SVHC (Substance of Very High Concern), it requires safety data sheets and proper hazard communication due to its acute toxicity and environmental hazard classifications. Users must comply with occupational exposure limits, environmental discharge restrictions, and proper waste management protocols. Regular monitoring of regulatory updates is essential as requirements may change.
Where to buy 3-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one in Europe?
3-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one is available through specialized chemical distributors in Europe, including OYSI, a professional distributor of technical chemicals. OYSI provides this substance to qualified industrial and research customers with proper licensing and safety protocols. Due to the hazardous nature of this compound, purchases typically require verification of appropriate handling capabilities and intended use. Contact OYSI's technical team for availability, specifications, and regulatory compliance support for your specific application requirements.
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3-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one 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.