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 molecular formula C15H14NO2PS featuring both phosphinothioyl and benzonitrile functional groups. This specialized organophosphorus compound represents a unique chemical structure combining phosphorus-sulfur chemistry with aromatic nitrile functionality. With a molecular weight of 303.3 g/mol, this substance exhibits distinctive properties that make it valuable in specific industrial applications requiring organophosphorus intermediates. The compound's structure incorporates an ethoxy group attached to a phenylphosphinothioyl moiety, which is further connected to a benzonitrile unit through an oxygen bridge. The safety profile of 4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile requires careful handling protocols due to its classification as Acute Tox. 4 and Acute Tox. 3, indicating moderate to high acute toxicity. The substance also presents as STOT SE 1 (specific target organ toxicity), Eye Irrit. 2 (eye irritation), and Aquatic Chronic 2 (chronic aquatic toxicity). These hazard classifications necessitate the use of appropriate GHS pictogrammes including GHS06 (skull and crossbones), GHS08 (health hazard), and GHS09 (environmental hazard), with "Danger" as the signal word. Transportation falls under ADR class 6.1, reflecting its toxic nature. Industrial applications typically include use as an intermediate in organophosphorus synthesis, specialty chemical manufacturing, and pharmaceutical research applications. Unlike simpler aromatic compounds such as N-methylaniline, this phosphinothioyl derivative offers unique reactivity patterns suitable for advanced chemical transformations. The compound may also find applications in materials science research where specific phosphorus-containing functionalities are required. OYSI maintains availability of 4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile for qualified industrial customers requiring this specialized organophosphorus 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, nitrogen, and oxygen atoms in its structure. It is classified as a hazardous substance with multiple toxicity concerns including acute toxicity, eye irritation, and specific target organ toxicity.
What are the physicochemical properties of 4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile?
4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile is an organic compound with a molecular formula C15H14NO2PS and molecular weight of 303.3 g/mol. The substance contains aromatic rings (phenyl and benzonitrile groups) connected through a phosphinothioyl linkage with an ethoxy substituent. Its structure includes both hydrophobic aromatic components and polar functional groups, which influences its solubility and reactivity characteristics.
What is 4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile used for?
4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile is primarily used as an intermediate in organic synthesis and pharmaceutical research. Its organophosphorus structure makes it valuable in the development of specialized chemical compounds and potential pharmaceutical applications. The presence of both phosphinothioyl and benzonitrile functional groups allows for diverse chemical transformations in synthetic chemistry processes, particularly in research and development laboratories.
How to handle 4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile safely?
4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile requires careful handling due to its Acute Tox. 4, Acute Tox. 3, STOT SE 1, and Eye Irrit. 2 classifications. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and appropriate respiratory protection. Work should be conducted in well-ventilated areas or under fume hoods. Avoid skin and eye contact, inhalation, and ingestion. Emergency eyewash stations and safety showers should be readily accessible.
How to store 4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile correctly?
4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile should be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers tightly closed and properly labeled with hazard information. Storage areas must be secured and accessible only to trained personnel due to the substance's toxicity classification. Regular inspection of containers for damage or leaks is essential. Store away from oxidizing agents and other reactive chemicals.
What to do in case of contact with 4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile?
Immediate action is required if contact occurs with 4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile due to its toxicity and eye irritation properties. For skin contact, wash immediately with plenty of water and remove contaminated clothing. In case of eye contact, rinse thoroughly with water for at least 15 minutes and seek immediate medical attention. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek emergency medical care.
How to dispose of 4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile appropriately?
4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile must be disposed of according to local and European hazardous waste regulations due to its toxicity classification and aquatic chronic toxicity. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Never dispose of this substance in regular waste streams, sewers, or water bodies. Containers should be completely emptied and treated as hazardous waste unless properly decontaminated according to regulatory requirements.
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. Transportation must comply with ADR regulations including proper packaging, labeling with appropriate hazard symbols, and documentation. Only trained personnel should handle the transport, and emergency response information must accompany shipments. Vehicles must carry appropriate safety equipment and emergency contact information.
Is 4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile subject to specific regulations?
4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile is subject to REACH and CLP regulations in Europe due to its hazardous classification. The substance is not currently listed as a Substance of Very High Concern (SVHC). It must comply with classification, labeling, and packaging requirements under CLP regulation, displaying GHS06, GHS08, and GHS09 pictograms with 'Danger' signal word. Registration requirements under REACH may apply depending on import/production volumes.
Where to buy 4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile in Europe?
4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile is available through OYSI, a specialized European distributor of chemical products. OYSI provides this compound to qualified customers with proper handling capabilities and legitimate research or industrial applications. Due to the substance's hazardous classification, purchases require appropriate documentation, safety data sheets, and compliance with regulatory requirements. Contact OYSI directly for availability, technical specifications, and regulatory compliance support.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.