4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile
C15H14NO2PS
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Identification
- CAS Number
- 13067-93-1
- UN Number
- 2783
- Index Number
- 015-110-00-4
- PubChem CID
- 25669
Physical-chemical properties
- Molecular Formula
- C15H14NO2PS
- Molar Mass
- 303.30 g/mol
- IUPAC Name
- 4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile
Chemical Identifiers
- InChI
- InChI=1S/C15H14NO2PS/c1-2-17-19(20,15-6-4-3-5-7-15)18-14-10-8-13(12-16)9-11-14/h3-11H,2H2,1H3
- InChI Key
- LRNJHZNPJSPMGK-UHFFFAOYSA-N
Overview
4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile (CAS 13067-93-1) is an organophosphorus compound with notable toxicity characteristics and environmental impact concerns. This specialized organophosphorus compound represents a significant chemical intermediate in industrial applications, characterized by its complex molecular structure combining phosphinothioyl, ethoxy, and benzonitrile functional groups. With a molecular formula of C15H14NO2PS and molecular weight of 303.3 g/mol, this substance exhibits properties typical of phosphorus-containing organic compounds, requiring careful handling protocols due to its hazardous nature. The compound falls under ADR Class 6.1, indicating its toxic properties, and carries GHS pictograms including GHS06 (skull and crossbones), GHS08 (health hazard), and GHS09 (environmental hazard). Its hazard classification includes Acute Toxicity categories 3 and 4, Specific Target Organ Toxicity Single Exposure category 1, Eye Irritation category 2, and Aquatic Chronic Toxicity category 2. These classifications necessitate stringent safety measures during storage, handling, and transportation, similar to other toxic aromatic compounds like N-methylaniline. Key safety considerations include proper ventilation systems, appropriate personal protective equipment, and adherence to occupational exposure limits. The compound's environmental impact profile requires careful waste management and disposal procedures to prevent aquatic contamination. Industrial applications typically include use as a chemical intermediate in pharmaceutical synthesis, specialty chemical manufacturing, and research applications requiring organophosphorus compounds. The substance serves particular roles in processes where the combination of phosphinothioyl and nitrile functionalities provides specific reactivity patterns. OYSI maintains reliable supply chains for 4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile, ensuring consistent availability for qualified industrial customers requiring this specialized chemical intermediate.
Safety & Classification
Acute Tox. 4 *; Acute Tox. 3 *; STOT SE 1; Eye Irrit. 2; Aquatic Chronic 2
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:
Eye Contact
Measures if substance gets into the eyes
First Aid Actions
- +P305IF IN EYES:
- +P351Rinse cautiously with water for several minutes.
- +P338Remove contact lenses, if present and easy to do. Continue rinsing.
- +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 | Cyanofenphos (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is 4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile?
4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile is an organophosphorus compound with the molecular formula C15H14NO2PS and CAS number 13067-93-1. This chemical substance has a molecular weight of 303.3 g/mol and contains phosphorus, sulfur, and nitrogen functional groups. It is classified as a hazardous substance with multiple toxicity concerns including acute toxicity, specific target organ toxicity, and environmental hazards. The compound requires careful handling due to its dangerous properties.
What are the physicochemical properties of 4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile?
4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile has a molecular weight of 303.3 g/mol and molecular formula C15H14NO2PS. As an organophosphorus compound containing aromatic rings, it likely exists as a solid at room temperature. The presence of both polar (nitrile, phosphinothioyl) and nonpolar (ethoxy, phenyl) groups suggests moderate solubility in organic solvents. Specific physical properties such as melting point, boiling point, and exact appearance would require detailed technical specifications from the manufacturer.
What is 4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile used for?
4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile is primarily used as a chemical intermediate in pharmaceutical and agrochemical synthesis. Its organophosphorus structure makes it valuable for developing compounds with biological activity. The substance may serve as a building block for more complex molecules in research and development applications. Due to its hazardous classification, its use is restricted to professional and industrial settings where appropriate safety measures and expertise are available.
How to handle 4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile safely?
4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile requires strict safety precautions due to its Acute Tox. 3 and 4 classifications and STOT SE 1 rating. Personal protective equipment must include chemical-resistant gloves, safety goggles, and respiratory protection. Work should be conducted in well-ventilated areas or under fume hoods. Avoid skin and eye contact, and prevent inhalation. Emergency procedures and safety data sheets must be readily available. Only trained personnel should handle this substance.
How to store 4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile correctly?
4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile must be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Containers should be tightly sealed and properly labeled with hazard information. Storage areas must be secure and accessible only to authorized personnel. Given its toxicity classification, segregation from food, feed, and other consumables is essential. Regular inspection of containers for damage or leaks is recommended to prevent accidental exposure.
What to do in case of contact with 4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile?
Immediate action is required upon contact with 4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile due to its acute toxicity. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water. In case of eye contact, flush immediately with clean water for at least 15 minutes. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting. Seek immediate medical attention in all cases and provide the safety data sheet to medical personnel.
How to dispose of 4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile appropriately?
4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile must be disposed of as hazardous waste through licensed waste management companies in accordance with local and European regulations. The substance cannot be disposed of in regular waste streams due to its toxicity and environmental hazard classification (Aquatic Chronic 2). Containers must be properly labeled and transported according to ADR Class 6.1 requirements. Incineration at authorized high-temperature facilities is typically the preferred disposal method for organophosphorus compounds.
How to transport 4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile?
4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile is classified under ADR Class 6.1 (Toxic substances) Packing Group II, indicating significant toxicity requiring special transport precautions. Packaging must meet UN specifications for toxic substances and be properly marked with hazard labels including GHS06, GHS08, and GHS09 pictograms. Transport documentation must include proper shipping names, hazard classes, and emergency response information. Only certified carriers familiar with dangerous goods regulations should handle transportation.
Is 4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile subject to specific regulations?
4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile is subject to multiple European regulations including REACH registration requirements and CLP classification standards. The substance is not currently listed as an SVHC (Substance of Very High Concern) but must comply with worker protection and environmental safety regulations. Its classification under multiple hazard categories (Acute Tox., STOT SE 1, Eye Irrit. 2, Aquatic Chronic 2) triggers specific labeling, safety data sheet, and handling requirements under CLP regulation.
Where to buy 4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile in Europe?
4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this substance to qualified industrial and research customers who can demonstrate appropriate handling capabilities and safety protocols. Due to the hazardous nature of this compound, purchases require proper documentation and may be subject to quantity restrictions. Contact OYSI directly for availability, technical specifications, and regulatory compliance documentation required for your specific application.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.