4-bromo-2-chloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene

C11H15BrClO3PS

CAS41198-08-7
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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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 featuring halogenated aromatic structure with moderate toxicity properties. This specialized organophosphorus chemical represents a complex molecular structure combining halogen substituents (bromine and chlorine) with a phosphoryl group containing both ethoxy and propylsulfanyl moieties. With a molecular formula of C11H15BrClO3PS and molecular weight of 373.63 g/mol, this compound exhibits the characteristic properties of halogenated organophosphorus derivatives commonly utilized in industrial applications. The compound's safety profile requires careful handling protocols, as indicated by its Acute Toxicity Category 4 classification across multiple exposure routes and significant aquatic toxicity concerns (Aquatic Acute 1 and Aquatic Chronic 1). The GHS07 and GHS09 pictograms, along with the "Warning" signal word, emphasize the need for appropriate personal protective equipment and environmental precautions during handling and storage. Its ADR Class 6.1 classification further reinforces the toxic nature of this substance, requiring specialized transport considerations. In industrial applications, this organophosphorus compound finds primary use in specialized chemical synthesis processes, particularly in the development of advanced materials and intermediate compounds. Its unique combination of halogen and phosphorus functionalities makes it valuable in pharmaceutical intermediates synthesis and specialty chemical manufacturing. The compound shares structural similarities with other organophosphorus derivatives like (3-chloro-4-nitrophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane, which also features phosphorus-oxygen linkages in aromatic systems. OYSI maintains reliable supply chains for this technical grade chemical, ensuring consistent availability for European industrial customers requiring high-purity organophosphorus compounds.

Safety & Classification

Warning
Classification:

Acute Tox. 4 *; Acute Tox. 4 *; Acute Tox. 4 *; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H332

Harmful if inhaled.

H312

Harmful in contact with skin.

H302

Harmful if swallowed.

H400

Very toxic to aquatic life.

H410

Very toxic to aquatic life with long lasting effects.

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

Harmful

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

Harmful

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

Harmful

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 Number3018
ADR Class6.1
Packing GroupIII
Tunnel CodeE
Proper Shipping NameProfenofos (ISO)
Marine PollutantNo

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 the molecular formula C11H15BrClO3PS and CAS number 41198-08-7. This chemical substance has a molecular weight of 373.63 g/mol and contains bromine, chlorine, and phosphorus functional groups. It is classified as moderately toxic and environmentally hazardous, requiring careful handling and storage protocols 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 complex organic compound with a molecular mass of 373.63 g/mol. The substance contains multiple functional groups including bromine, chlorine, ethoxy, and propylsulfanyl groups attached to a phosphoryl-substituted benzene ring. Due to its organophosphorus nature and halogen substituents, it likely exhibits moderate lipophilicity and specific reactivity patterns characteristic of phosphate esters.

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 organic synthesis and pharmaceutical research. Its unique combination of bromine, chlorine, and organophosphorus functionalities makes it valuable for developing specialized chemical compounds. The substance may also serve as a building block in agrochemical synthesis or as a research reagent in academic and industrial laboratories focusing on organophosphorus chemistry.

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 Tox. 4 classification. Wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume hoods to avoid inhalation. Prevent skin and eye contact, and avoid ingestion. Handle containers carefully to prevent spills, and have emergency procedures readily available.

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 properly labeled. Due to its organophosphorus nature, avoid exposure to extreme temperatures and moisture. Store separately from oxidizing agents, strong acids, and bases. Maintain proper inventory records and ensure storage areas comply with local chemical storage regulations and safety requirements.

What to do in case of contact with 4-bromo-2-chloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene?

In case of skin contact with 4-bromo-2-chloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene, immediately remove contaminated clothing and rinse affected area with plenty of water for at least 15 minutes. For eye contact, flush with water immediately and seek medical attention. If inhaled, move to fresh air and seek medical help if symptoms develop. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always consult safety data sheets for complete first aid procedures.

How to dispose of 4-bromo-2-chloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene appropriately?

4-bromo-2-chloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene must be disposed of as hazardous waste through licensed waste management companies. Due to its toxic and environmentally hazardous classification (Aquatic Acute 1, Aquatic Chronic 1), it cannot be released into the environment. Follow local and national regulations for hazardous chemical disposal. Collect waste in appropriate containers, label clearly, and maintain disposal records. Never dispose of through regular waste streams or sewage systems.

How to transport 4-bromo-2-chloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene?

4-bromo-2-chloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene is classified as ADR Class 6.1 (toxic substances), Packing Group III for transportation. This classification requires specific packaging, labeling, and documentation according to dangerous goods regulations. Containers must be properly sealed, labeled with appropriate hazard markings, and transported by qualified carriers with dangerous goods certification. Ensure compliance with international transport regulations including ADR for road transport and other modal-specific requirements.

Is 4-bromo-2-chloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene subject to specific regulations?

4-bromo-2-chloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene 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). However, its toxic and environmentally hazardous properties require compliance with worker protection regulations, environmental discharge limits, and proper chemical management protocols according to national and European 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 professional chemical distribution services across Europe, ensuring proper handling, documentation, and regulatory compliance. As a technical chemical requiring specialized handling, it is typically available to qualified industrial customers, research institutions, and authorized users with appropriate facilities and safety protocols for handling toxic substances.

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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.

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Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.