3-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one

C12H16N3O3PS2

CAS2642-71-9
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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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 with high toxicity and potent pesticidal properties. This specialized benzotriazinone derivative represents a sophisticated class of organophosphorus chemicals widely utilized in agricultural and industrial applications. With its molecular formula C12H16N3O3PS2 and molecular weight of 345.4 g/mol, this compound features a unique structural combination of benzotriazine and phosphinothioyl functional groups that confer its distinctive chemical properties and biological activity. The substance exhibits significant toxicity characteristics, classified under Acute Tox. 2 and Acute Tox. 3 categories, requiring careful handling protocols and appropriate safety measures. Its environmental impact profile includes Aquatic Acute 1 and Aquatic Chronic 1 classifications, indicating substantial risks to aquatic ecosystems. The compound requires transportation under ADR Class 6.1 regulations, reflecting its toxic nature and necessitating specialized logistics and storage conditions. Safety considerations are paramount when handling this material, as indicated by the GHS06 and GHS09 pictograms and "Danger" signal word. Proper personal protective equipment, ventilation systems, and emergency response procedures are essential for safe industrial use. Primary industrial applications include agricultural formulations where its pesticidal properties are leveraged for crop protection, specialty chemical synthesis as an intermediate compound, and research applications in organophosphorus chemistry. The compound shares structural similarities with related phosphinothioyl derivatives such as 2-(2-chloro-1-diethoxyphosphinothioylsulfanylethyl)isoindole-1,3-dione, which exhibits comparable organophosphorus characteristics in different molecular frameworks. OYSI maintains reliable supply chains for this technical-grade compound, serving European markets with comprehensive documentation and regulatory compliance support.

Safety & Classification

Danger
Classification:

Acute Tox. 3 *; Acute Tox. 2 *; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H311

Toxic in contact with skin.

H300

Fatal 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

Fatal

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 NameAzinphos-ethyl (ISO)
Marine PollutantNo

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 belongs to the benzotriazinone family. It is classified as a highly toxic substance with significant environmental hazards, requiring careful handling and specialized safety measures due to its acute toxicity properties.

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 phosphorus and sulfur atoms within its benzotriazinone structure, which influences its chemical reactivity and stability. Specific physical properties such as melting point, boiling point, and solubility depend on the exact formulation and should be referenced from the safety data sheet for precise handling requirements.

What is 3-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one used for?

3-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one is primarily used as a chemical intermediate in pharmaceutical and agrochemical synthesis. Its organophosphorus structure makes it valuable for research and development applications in specialized chemical manufacturing. The compound may also serve as a building block for more complex molecules in industrial chemistry processes, though its high toxicity limits its applications to professional and controlled industrial environments only.

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 protective equipment includes chemical-resistant gloves, safety goggles, and respiratory protection in well-ventilated areas. Work should be conducted in fume hoods to prevent inhalation exposure. Emergency shower and eyewash stations must be accessible, and only trained personnel should handle this substance following established safety procedures.

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 cool, dry, well-ventilated area away from heat sources and incompatible materials. Due to its high toxicity classification, storage requires secure, locked facilities with restricted access. The substance should be kept in original containers with proper labeling including GHS06 and GHS09 pictograms. Storage areas must be equipped with appropriate spill containment measures and emergency response equipment.

What to do in case of contact with 3-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one?

In case of skin contact with 3-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one, immediately remove contaminated clothing and wash affected area with plenty of water for at least 15 minutes. For eye contact, flush with water for 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. Due to the Acute Tox. 2 classification, seek immediate medical attention in all exposure cases 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 must be disposed of as hazardous waste through licensed waste management companies due to its acute toxicity and aquatic hazard classifications. The substance cannot be disposed of in regular waste streams or sewage systems. Disposal must comply with local, national, and European waste regulations. Empty containers should also be treated as hazardous waste and handled by specialized disposal services following proper decontamination procedures.

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 high toxicity requiring special transport precautions. Transportation must comply with dangerous goods regulations, using appropriate packaging and labeling with toxic substance markings. Only certified carriers experienced in hazardous material transport should handle shipments. Proper documentation including safety data sheets and emergency response information must accompany all shipments.

Is 3-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one subject to specific regulations?

3-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one is regulated under European CLP Regulation due to its Acute Tox. 2/3 and aquatic hazard classifications, requiring proper labeling with Danger signal word and GHS06/GHS09 pictograms. The substance falls under REACH regulation for chemical registration and evaluation. While not currently listed as SVHC, its high toxicity may subject it to additional restrictions or authorization requirements depending on intended use and local regulations.

Where to buy 3-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one in Europe?

3-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one is available through OYSI, a European distributor specializing in technical chemicals. As a professional chemical supplier, OYSI provides this highly toxic substance to qualified industrial customers with proper safety documentation and regulatory compliance. Due to the substance's ADR Class 6.1 classification and acute toxicity, purchases are restricted to professional users with appropriate handling capabilities and safety infrastructure.

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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.

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Data Sources

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