Di(propan-2-yloxy)phosphorylsulfanylmethylbenzene
C13H21O3PS
di(propan-2-yloxy)phosphorylsulfanylmethylbenzene
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Identification
- CAS Number
- 26087-47-8
- EC Number
- 247-449-0
- UN Number
- 3082
- Index Number
- 015-127-00-7
- PubChem CID
- 33294
Physical-chemical properties
- Molecular Formula
- C13H21O3PS
- Molar Mass
- 288.34 g/mol
- IUPAC Name
- di(propan-2-yloxy)phosphorylsulfanylmethylbenzene
Chemical Identifiers
- InChI
- InChI=1S/C13H21O3PS/c1-11(2)15-17(14,16-12(3)4)18-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3
- InChI Key
- FCOAHACKGGIURQ-UHFFFAOYSA-N
Overview
Di(propan-2-yloxy)phosphorylsulfanylmethylbenzene (CAS 26087-47-8) is an organophosphorus compound with phosphorothioate functionality and moderate acute toxicity properties. This organophosphorus chemical represents a specialized phosphorothioate derivative featuring a benzyl sulfur linkage combined with isopropyl phosphate ester groups. The compound's molecular structure (C13H21O3PS) incorporates both aromatic and aliphatic components, resulting in unique chemical properties that make it valuable for specific industrial applications. With a molecular weight of 288.34 g/mol, this substance exhibits moderate lipophilicity due to its organic substituents. The compound is classified under GHS as Acute Toxicity Category 4 and Aquatic Chronic Toxicity Category 2, requiring appropriate handling precautions indicated by the Warning signal word and GHS07/GHS09 pictograms. Its ADR Class 9 classification designates it as a miscellaneous dangerous substance for transportation purposes. Safety protocols must address both acute exposure risks and potential environmental impact, particularly regarding aquatic ecosystems. Primary industrial applications include use as a chemical intermediate in organophosphorus synthesis, potential applications in agricultural chemistry development, and specialized research applications in phosphorothioate chemistry. The compound's structural similarity to other organophosphorus derivatives makes it particularly relevant in comparative studies alongside compounds such as diethyl 2-[(4-ethoxyanilino)methylidene]propanedioate, which shares certain ester functionalities. The benzylphosphorothioate framework provides unique reactivity patterns that distinguish it from simpler phosphate esters, enabling specific synthetic transformations in organic chemistry applications. OYSI maintains technical-grade availability of di(propan-2-yloxy)phosphorylsulfanylmethylbenzene with comprehensive safety documentation and regulatory compliance support for European industrial customers.
Safety & Classification
Acute Tox. 4 *; 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
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 | 3082 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Iprobenfos (ISO), technisch, flüssig |
| Marine Pollutant | No |
Frequently Asked Questions
What is di(propan-2-yloxy)phosphorylsulfanylmethylbenzene?
Di(propan-2-yloxy)phosphorylsulfanylmethylbenzene is an organophosphorus compound with the molecular formula C13H21O3PS and CAS number 26087-47-8. This chemical substance has a molecular weight of 288.34 g/mol and contains phosphorus, sulfur, and organic groups including a benzene ring and isopropoxy substituents. It is classified as a moderately hazardous substance with acute toxicity and chronic aquatic toxicity properties, requiring careful handling in professional applications.
What are the physicochemical properties of di(propan-2-yloxy)phosphorylsulfanylmethylbenzene?
Di(propan-2-yloxy)phosphorylsulfanylmethylbenzene is an organic compound with a molecular weight of 288.34 g/mol and the formula C13H21O3PS. As an organophosphorus compound containing both aromatic and aliphatic components, it likely exhibits moderate polarity due to the phosphoryl and sulfur functionalities. The presence of isopropoxy groups suggests potential solubility in organic solvents. Specific physical properties such as melting point, boiling point, and exact appearance require analytical characterization for precise determination.
What is di(propan-2-yloxy)phosphorylsulfanylmethylbenzene used for?
Di(propan-2-yloxy)phosphorylsulfanylmethylbenzene serves as a specialty chemical intermediate in various industrial applications. Organophosphorus compounds of this type are commonly utilized in pharmaceutical synthesis, agrochemical production, and as specialized reagents in organic chemistry. The compound may function as a building block for more complex molecules or as a functional additive in specific chemical processes. Its exact applications depend on the particular industry requirements and chemical compatibility with target formulations.
How to handle di(propan-2-yloxy)phosphorylsulfanylmethylbenzene safely?
Di(propan-2-yloxy)phosphorylsulfanylmethylbenzene requires careful handling due to its Acute Tox. 4 classification and Warning signal word. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and appropriate respiratory protection when needed. Work in well-ventilated areas or under fume extraction systems. Avoid direct skin and eye contact, and prevent inhalation of vapors or dust. Follow GHS07 pictogram warnings and implement standard chemical handling procedures including proper hygiene practices and emergency response protocols.
How to store di(propan-2-yloxy)phosphorylsulfanylmethylbenzene correctly?
Di(propan-2-yloxy)phosphorylsulfanylmethylbenzene should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and incompatible materials. As an organophosphorus compound, keep away from strong oxidizing agents, acids, and bases that could cause decomposition. Store in original labeled containers with proper hazard identification. Maintain storage temperatures within manufacturer specifications and ensure adequate containment measures to prevent environmental release, considering its Aquatic Chronic 2 classification.
What to do in case of contact with di(propan-2-yloxy)phosphorylsulfanylmethylbenzene?
Immediate first aid measures for di(propan-2-yloxy)phosphorylsulfanylmethylbenzene exposure include removing contaminated clothing and flushing affected skin or eyes with copious amounts of water for at least 15 minutes. If inhaled, move the person to fresh air and monitor breathing. For ingestion, do not induce vomiting and seek immediate medical attention. Due to the Acute Tox. 4 classification, contact poison control or emergency medical services promptly. Keep the safety data sheet available for medical personnel and never give anything by mouth to unconscious persons.
How to dispose of di(propan-2-yloxy)phosphorylsulfanylmethylbenzene appropriately?
Di(propan-2-yloxy)phosphorylsulfanylmethylbenzene must be disposed of according to local, national, and international waste regulations due to its hazardous classification. The substance requires treatment as hazardous chemical waste and cannot be disposed of through regular waste streams. Contact licensed hazardous waste disposal companies for proper collection and treatment. Consider its Aquatic Chronic 2 classification to prevent environmental contamination. Maintain waste tracking documentation and ensure compliance with applicable environmental protection laws and ADR Class 9 transport requirements for disposal transport.
How to transport di(propan-2-yloxy)phosphorylsulfanylmethylbenzene?
Di(propan-2-yloxy)phosphorylsulfanylmethylbenzene is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transportation purposes. This classification requires specific packaging, labeling, and documentation according to ADR regulations. Use UN-approved packaging suitable for Class 9 substances and ensure proper hazard labels and transport documentation accompany shipments. Transport vehicles must comply with ADR requirements including equipment and driver training. Consult current ADR regulations and work with qualified dangerous goods transport providers for safe shipment.
Is di(propan-2-yloxy)phosphorylsulfanylmethylbenzene subject to specific regulations?
Di(propan-2-yloxy)phosphorylsulfanylmethylbenzene is subject to standard chemical regulations including REACH registration requirements in Europe and CLP classification obligations. The substance is not currently identified as a Substance of Very High Concern (SVHC) under REACH. However, its Acute Tox. 4 and Aquatic Chronic 2 classifications require compliance with hazard communication, safety data sheet provisions, and workplace exposure controls. Users must follow occupational safety regulations and environmental protection requirements applicable to hazardous chemicals in their respective jurisdictions.
Where to buy di(propan-2-yloxy)phosphorylsulfanylmethylbenzene in Europe?
Di(propan-2-yloxy)phosphorylsulfanylmethylbenzene is available through OYSI, a specialized European distributor of technical chemicals and industrial raw materials. OYSI provides this organophosphorus compound to professional users across Europe with proper regulatory compliance and technical support. As a specialty chemical, availability may be subject to minimum order quantities and lead times. Contact OYSI directly for current pricing, packaging options, delivery schedules, and technical specifications to meet your specific application requirements.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.