4-bromo-2-chloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene
C11H15BrClO3PS
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Identification
- CAS Number
- 41198-08-7
- EC Number
- 255-255-2
- UN Number
- 3018
- Index Number
- 015-135-00-0
- PubChem CID
- 38779
Physical-chemical properties
- Molecular Formula
- C11H15BrClO3PS
- Molar Mass
- 373.63 g/mol
- IUPAC Name
- 4-bromo-2-chloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene
Chemical Identifiers
- InChI
- InChI=1S/C11H15BrClO3PS/c1-3-7-18-17(14,15-4-2)16-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3
- InChI Key
- QYMMJNLHFKGANY-UHFFFAOYSA-N
Overview
4-bromo-2-chloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene (CAS 41198-08-7) is an organophosphorus compound with halogenated aromatic structure and moderate toxicity profile. This specialized organophosphorus derivative represents a complex molecular structure combining halogenated benzene ring chemistry with phosphoryl functionality. The compound features a unique combination of bromine and chlorine substituents on the aromatic ring, coupled with an ethoxy(propylsulfanyl)phosphoryl group, resulting in distinctive chemical properties. With a molecular formula of C11H15BrClO3PS and molecular weight of 373.63 g/mol, this substance exhibits characteristics typical of both halogenated aromatics and organophosphorus compounds. From a safety perspective, 4-bromo-2-chloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene carries significant hazard classifications including Acute Toxicity Category 4 across multiple exposure routes and severe aquatic toxicity (Aquatic Acute 1, Aquatic Chronic 1). The compound requires careful handling protocols consistent with ADR Class 6.1 toxic substances, displaying GHS07 and GHS09 pictograms with a Warning signal word. The chemical structure shares certain organophosphorus characteristics with compounds like (3-chloro-4-nitrophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane, though with distinct halogenation patterns. Primary industrial applications include specialized pharmaceutical intermediate synthesis, advanced materials research, and selective organic transformations where the unique combination of phosphoryl and halogenated aromatic functionalities provides specific reactivity profiles. OYSI maintains reliable supply channels for this technical-grade organophosphorus compound, supporting European chemical industry requirements with comprehensive documentation and regulatory compliance.
Safety & Classification
Acute Tox. 4 *; 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
Inhalation
Measures if vapours or dust are inhaled
First Aid Actions
- +P304IF INHALED:
- +P340Remove person to fresh air and keep comfortable for breathing.
- +P311Call a POISON CENTER/doctor.
Related hazard statements:
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 | Profenofos (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is 4-bromo-2-chloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene?
4-bromo-2-chloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene is an organophosphorus compound with molecular formula C11H15BrClO3PS and CAS number 41198-08-7. This chemical features a benzene ring substituted with bromine and chlorine atoms, along with a phosphoryl group containing ethoxy and propylsulfanyl substituents. With a molecular weight of 373.63 g/mol, it belongs to the class of phosphate esters and exhibits moderate toxicity properties requiring careful handling in industrial applications.
What are the physicochemical properties of 4-bromo-2-chloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene?
4-bromo-2-chloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene is a synthetic organophosphorus compound with a molecular weight of 373.63 g/mol. The presence of halogen substituents (bromine and chlorine) and the phosphoryl group influence its physical characteristics. As a phosphate ester derivative, it typically exhibits limited water solubility but better solubility in organic solvents. The compound's stability and reactivity are influenced by the electron-withdrawing effects of the halogen atoms and the phosphoryl functionality.
What is 4-bromo-2-chloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene used for?
4-bromo-2-chloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene is primarily used as an intermediate in the synthesis of specialized organophosphorus compounds. Its structure makes it valuable in pharmaceutical research, agrochemical development, and specialty chemical manufacturing. The compound serves as a building block for more complex molecules requiring specific halogen and phosphoryl functionalities. Due to its toxicological properties, its use is restricted to professional and industrial applications where appropriate safety measures can be implemented.
How to handle 4-bromo-2-chloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene safely?
4-bromo-2-chloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene requires careful handling due to its Acute Toxicity Category 4 classification. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid skin contact, ingestion, and inhalation. Ensure proper training of personnel and maintain emergency procedures. The Warning signal word indicates moderate hazard levels requiring standard laboratory safety protocols.
How to store 4-bromo-2-chloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene correctly?
4-bromo-2-chloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene should be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly sealed and protected from moisture and direct sunlight. Store separately from strong oxidizing agents, bases, and reducing agents due to potential reactivity of the phosphoryl group. Maintain storage temperature according to supplier specifications and ensure proper labeling with GHS pictograms (GHS07, GHS09). Implement appropriate containment measures to prevent environmental release.
What to do in case of contact with 4-bromo-2-chloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene?
4-bromo-2-chloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene exposure requires immediate action due to its acute toxicity. For skin contact, remove contaminated clothing and flush affected area with plenty of water for at least 15 minutes. If inhaled, move to fresh air immediately. For eye contact, rinse thoroughly with water for several minutes and remove contact lenses if present. If ingested, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet and contact poison control if necessary.
How to dispose of 4-bromo-2-chloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene appropriately?
4-bromo-2-chloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene requires specialized disposal as hazardous waste due to its toxicity and environmental hazard classification. The compound cannot be disposed of through normal waste streams and must be handled by licensed hazardous waste disposal companies. Incineration at high temperatures in specialized facilities is typically required. Container residues should be treated as hazardous waste. Comply with local, national, and EU waste regulations, and maintain proper documentation for waste tracking and disposal records.
How to transport 4-bromo-2-chloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene?
4-bromo-2-chloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene is classified under ADR Class 6.1 (Toxic substances), Packing Group III, indicating moderate toxicity for transportation purposes. Packages must comply with ADR regulations including proper labeling, marking, and documentation. Use appropriate packaging materials resistant to the chemical and ensure leak-proof containers. Transport vehicles require proper placarding and emergency response information. Drivers must hold valid ADR certification for Class 6.1 substances and follow prescribed transport routes and safety procedures.
Is 4-bromo-2-chloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene subject to specific regulations?
4-bromo-2-chloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene is regulated under EU CLP Regulation with specific hazard classifications and labeling requirements including GHS pictograms. While not currently listed as an SVHC under REACH, it may be subject to registration requirements depending on import/manufacture volumes. The compound's toxicity profile requires compliance with occupational health regulations and environmental protection standards. Users must maintain safety data sheets, implement risk management measures, and ensure proper worker training according to applicable chemical safety legislation.
Where to buy 4-bromo-2-chloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene in Europe?
4-bromo-2-chloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound to qualified industrial and research customers with appropriate handling capabilities and safety infrastructure. As a controlled substance requiring professional handling, availability is restricted to legitimate industrial applications. Contact OYSI directly for product specifications, safety documentation, packaging options, and regulatory compliance support. Proper customer qualification and end-use documentation may be required for procurement.
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4-bromo-2-chloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene is a dangerous good. We support you with labeling, packaging, and transport documentation.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.