4-dimethoxyphosphinothioyloxybenzonitrile
C9H10NO3PS
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Identification
- CAS Number
- 2636-26-2
- EC Number
- 220-130-3
- UN Number
- 3018
- Index Number
- 015-087-00-0
- PubChem CID
- 17522
Physical-chemical properties
- Molecular Formula
- C9H10NO3PS
- Molar Mass
- 243.22 g/mol
- IUPAC Name
- 4-dimethoxyphosphinothioyloxybenzonitrile
Chemical Identifiers
- InChI
- InChI=1S/C9H10NO3PS/c1-11-14(15,12-2)13-9-5-3-8(7-10)4-6-9/h3-6H,1-2H3
- InChI Key
- SCKHCCSZFPSHGR-UHFFFAOYSA-N
Overview
4-dimethoxyphosphinothioyloxybenzonitrile (CAS 2636-26-2) is an organophosphorus compound with insecticidal properties and moderate acute toxicity characteristics. This specialized organophosphorus chemical serves as an important intermediate in agricultural chemistry and pharmaceutical synthesis applications. With its molecular formula C9H10NO3PS and molecular weight of 243.22 g/mol, 4-dimethoxyphosphinothioyloxybenzonitrile demonstrates the characteristic phosphinothioyl functional group that contributes to its biological activity profile. The compound's structure combines a benzonitrile core with dimethoxyphosphinothioyl substitution, creating unique reactivity patterns valuable in synthetic chemistry. The substance carries significant safety considerations, classified under GHS pictograms GHS07 and GHS09 with a Warning signal word. Its Acute Toxicity Category 4 classification requires careful handling protocols, while its Aquatic Acute 1 and Aquatic Chronic 1 classifications indicate substantial environmental impact potential. Transportation falls under ADR Class 6.1, reflecting its toxic nature and necessitating specialized logistics handling. Primary industrial applications include use as a synthetic intermediate in crop protection product development and specialized pharmaceutical compound synthesis. The compound's phosphinothioyl functionality makes it particularly valuable in creating bioactive molecules with targeted mechanisms of action. Related compounds in this chemical family include phenyl 5,6-dichloro-2-(trifluoromethyl)benzimidazole-1-carboxylate and methyl 2-chloro-3-(4-chlorophenyl)propanoate, which share similar applications in agrochemical synthesis pathways. Quality-assured 4-dimethoxyphosphinothioyloxybenzonitrile is available through OYSI's European distribution network, supported by comprehensive technical documentation and regulatory compliance materials for professional chemical users.
Safety & Classification
Acute Tox. 4 *; Acute Tox. 4 *; 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 | Cyanophos (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is 4-dimethoxyphosphinothioyloxybenzonitrile?
4-dimethoxyphosphinothioyloxybenzonitrile is an organophosphorus compound with the molecular formula C9H10NO3PS and CAS number 2636-26-2. This chemical substance has a molecular weight of 243.22 g/mol and contains both nitrile and phosphorothioate functional groups. It is classified as moderately toxic (Acute Tox. 4) and poses significant environmental hazards to aquatic ecosystems, requiring careful handling and regulatory compliance in industrial applications.
What are the physicochemical properties of 4-dimethoxyphosphinothioyloxybenzonitrile?
4-dimethoxyphosphinothioyloxybenzonitrile is an organophosphorus compound with a molecular weight of 243.22 g/mol and formula C9H10NO3PS. The substance contains phosphorothioate and nitrile functional groups, which influence its chemical behavior and solubility characteristics. As an organophosphorus compound, it typically exhibits moderate polarity due to the presence of phosphorus-oxygen bonds and the nitrile group, affecting its interaction with various solvents and environmental matrices.
What is 4-dimethoxyphosphinothioyloxybenzonitrile used for?
4-dimethoxyphosphinothioyloxybenzonitrile is primarily used as an intermediate in chemical synthesis and specialized industrial applications. The compound's organophosphorus structure makes it valuable in the development of various chemical products, including potential use in agricultural chemistry research and pharmaceutical intermediate synthesis. Its specific functional groups (nitrile and phosphorothioate) provide reactive sites for further chemical modifications in controlled industrial processes requiring precise chemical transformations.
How to handle 4-dimethoxyphosphinothioyloxybenzonitrile safely?
4-dimethoxyphosphinothioyloxybenzonitrile requires careful handling due to its Acute Tox. 4 classification and environmental hazards. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or use local exhaust ventilation to minimize exposure. Avoid contact with skin, eyes, and inhalation of vapors. Follow strict hygiene protocols, wash hands thoroughly after handling, and ensure emergency shower and eyewash stations are readily accessible.
How to store 4-dimethoxyphosphinothioyloxybenzonitrile correctly?
4-dimethoxyphosphinothioyloxybenzonitrile should be stored in a cool, dry, well-ventilated area away from incompatible materials and ignition sources. Keep containers tightly closed and properly labeled according to GHS requirements. Store separately from oxidizing agents, strong bases, and other reactive chemicals. Maintain storage temperatures within recommended ranges and ensure adequate secondary containment to prevent environmental release. Regular inspection of containers for leaks or deterioration is essential for safe storage management.
What to do in case of contact with 4-dimethoxyphosphinothioyloxybenzonitrile?
In case of skin contact with 4-dimethoxyphosphinothioyloxybenzonitrile, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. For eye contact, flush immediately with clean water for 15 minutes while holding eyelids open. If inhaled, move the person to fresh air and seek medical attention if breathing difficulties occur. Remove contaminated clothing and seek immediate medical attention for any significant exposure, providing the safety data sheet to medical personnel.
How to dispose of 4-dimethoxyphosphinothioyloxybenzonitrile appropriately?
4-dimethoxyphosphinothioyloxybenzonitrile must be disposed of through authorized hazardous waste management facilities due to its toxic and environmental hazard classifications. The substance cannot be disposed of in regular waste streams or discharged to sewers or environment. Contact licensed hazardous waste disposal companies for proper treatment and destruction. Ensure all disposal activities comply with local, national, and EU waste regulations. Maintain proper documentation and tracking records for all disposal activities as required by law.
How to transport 4-dimethoxyphosphinothioyloxybenzonitrile?
4-dimethoxyphosphinothioyloxybenzonitrile is classified under ADR Class 6.1 (toxic substances), Packing Group III for transportation purposes. The substance requires appropriate UN-specification packaging and proper shipping documentation including dangerous goods declarations. Transport vehicles must comply with ADR requirements for Class 6.1 substances, including proper placarding and emergency equipment. Only trained and certified personnel should handle the transportation, ensuring full compliance with international dangerous goods transportation regulations throughout the logistics chain.
Is 4-dimethoxyphosphinothioyloxybenzonitrile subject to specific regulations?
4-dimethoxyphosphinothioyloxybenzonitrile is subject to comprehensive EU chemical regulations including REACH registration requirements and CLP classification obligations. The substance is not currently listed as a Substance of Very High Concern (SVHC), but its toxic and environmental hazard classifications require strict compliance with safety and environmental protection measures. Users must ensure proper risk assessments, safety data sheet provision, and regulatory notifications. Additional national restrictions may apply depending on specific use applications and local legislation.
Where to buy 4-dimethoxyphosphinothioyloxybenzonitrile in Europe?
4-dimethoxyphosphinothioyloxybenzonitrile is available through OYSI, a specialized European distributor of technical chemicals and intermediates. OYSI provides regulatory-compliant chemical products with proper documentation, safety data sheets, and technical support for industrial customers across Europe. As a professional chemical distributor, OYSI ensures product quality, regulatory compliance, and reliable supply chain management. Contact OYSI directly for specific availability, technical specifications, and commercial terms for this specialized organophosphorus compound.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.