(4-bromo-2,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidene-lambda5-phosphane

C13H10BrCl2O2PS

CAS21609-90-5
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
21609-90-5
EC Number
244-472-8
UN Number
2783
Index Number
015-093-00-3
PubChem CID
30709

Physical-chemical properties

Molecular Formula
C13H10BrCl2O2PS
Molar Mass
412.10 g/mol
IUPAC Name
(4-bromo-2,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidene-lambda5-phosphane

Chemical Identifiers

InChI
InChI=1S/C13H10BrCl2O2PS/c1-17-19(20,9-5-3-2-4-6-9)18-13-8-11(15)10(14)7-12(13)16/h2-8H,1H3
InChI Key
CVRALZAYCYJELZ-UHFFFAOYSA-N

Overview

(4-bromo-2,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidene-lambda5-phosphane (CAS 21609-90-5) is an organophosphorus compound with significant toxicological properties and environmental impact concerns. This halogenated organophosphorus compound, with molecular formula C13H10BrCl2O2PS and molecular weight 412.1 g/mol, represents a specialized chemical intermediate featuring multiple halogen substituents on a phenoxy ring system linked to a phosphorus-sulfur framework. The presence of bromine and two chlorine atoms on the phenoxy moiety significantly influences both its reactivity profile and biological activity. The compound's classification under multiple acute toxicity categories and its designation as a category 1 specific target organ toxicant reflect the inherent risks associated with organophosphorus chemistry, similar to other toxic organic compounds such as N-methylaniline and phenylhydrazine, though with distinct mechanistic pathways. The substance requires careful handling protocols due to its acute toxicity profile (Acute Tox. 3 and 4 classifications) and potential for causing specific target organ systemic toxicity. Its aquatic toxicity classifications (Aquatic Acute 1 and Chronic 1) indicate significant environmental persistence and bioaccumulation potential, necessitating stringent containment measures during storage and use. The compound falls under ADR transport class 6.1, requiring specialized shipping and handling procedures consistent with toxic substances. Primary industrial applications include use as a chemical intermediate in pharmaceutical synthesis, specialized pesticide formulations, and research applications in organophosphorus chemistry. The compound's unique substitution pattern makes it valuable for developing novel bioactive molecules and studying structure-activity relationships in medicinal chemistry. OYSI maintains reliable supply chains for this specialized organophosphorus compound, ensuring consistent availability for qualified industrial customers with appropriate handling capabilities.

Safety & Classification

Danger
Classification:

Acute Tox. 4 *; Acute Tox. 3 *; STOT SE 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H312

Harmful in contact with skin.

H301

Toxic if swallowed.

H370

Causes damage to organs.

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

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

Toxic

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 Number2783
ADR Class6.1
Packing GroupII
Tunnel CodeD/E
Proper Shipping NameLeptophos (ISO)
Marine PollutantNo

Frequently Asked Questions

What is (4-bromo-2,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidene-lambda5-phosphane?

(4-bromo-2,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidene-lambda5-phosphane is an organophosphorus compound with the molecular formula C13H10BrCl2O2PS and CAS number 21609-90-5. This chemical substance has a molecular weight of 412.1 g/mol and contains bromine, chlorine, phosphorus, and sulfur atoms in its structure. It is classified as a hazardous substance with multiple danger classifications including acute toxicity and environmental hazards, requiring careful handling and specialized knowledge for safe use in industrial applications.

What are the physicochemical properties of (4-bromo-2,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidene-lambda5-phosphane?

(4-bromo-2,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidene-lambda5-phosphane is a complex organophosphorus compound with a molecular weight of 412.1 g/mol. The presence of halogen atoms (bromine and chlorine) along with phosphorus and sulfur suggests it likely exists as a solid at room temperature. Due to its complex aromatic structure and multiple halogen substituents, it would typically exhibit limited water solubility but may be soluble in organic solvents. Specific physical properties require laboratory analysis for precise determination.

What is (4-bromo-2,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidene-lambda5-phosphane used for?

(4-bromo-2,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidene-lambda5-phosphane is primarily used as a specialized chemical intermediate in pharmaceutical and agrochemical synthesis. Given its organophosphorus structure containing multiple halogen substituents, it serves as a valuable building block for developing complex organic molecules. The compound may also find applications in research and development activities within the chemical industry, particularly in the synthesis of biologically active compounds or advanced materials requiring specific phosphorus-containing functional groups.

How to handle (4-bromo-2,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidene-lambda5-phosphane safely?

(4-bromo-2,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidene-lambda5-phosphane requires strict safety measures due to its Acute Tox. 3-4 and STOT SE 1 classifications. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and respiratory protection in well-ventilated areas or fume hoods. Workers should wear protective clothing to prevent skin contact. Handle only with proper training and emergency procedures in place. Avoid inhalation, ingestion, and skin contact. The GHS06, GHS08, and GHS09 pictograms indicate health and environmental hazards requiring maximum precaution.

How to store (4-bromo-2,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidene-lambda5-phosphane correctly?

(4-bromo-2,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidene-lambda5-phosphane must be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly sealed and properly labeled according to CLP regulations. Storage areas should be equipped with appropriate spill containment and emergency equipment. Due to its environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1), prevent release to the environment. Store away from heat sources, oxidizing agents, and moisture. Access should be restricted to trained personnel only.

What to do in case of contact with (4-bromo-2,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidene-lambda5-phosphane?

Immediate action is required if contact occurs with (4-bromo-2,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidene-lambda5-phosphane due to its acute toxicity. For skin contact, immediately remove contaminated clothing and wash thoroughly with soap and water. In case of eye contact, flush with clean water for at least 15 minutes. If inhaled, move to fresh air immediately. If swallowed, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet and contact emergency services if serious exposure occurs.

How to dispose of (4-bromo-2,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidene-lambda5-phosphane appropriately?

(4-bromo-2,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidene-lambda5-phosphane must be disposed of as hazardous waste through licensed waste management companies. Due to its environmental hazard classifications (Aquatic Acute 1, Aquatic Chronic 1), it cannot be released into water systems or soil. Disposal must comply with local and European waste regulations including the Waste Framework Directive. Incineration at high temperatures in specialized facilities is typically required for organophosphorus compounds. Container disposal must also follow hazardous waste protocols.

How to transport (4-bromo-2,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidene-lambda5-phosphane?

(4-bromo-2,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidene-lambda5-phosphane is classified as ADR Class 6.1 (toxic substances) Packing Group II, indicating significant transport hazards. Transportation requires specialized packaging meeting UN specifications, proper hazard labeling, and documentation including transport emergency cards. Only carriers certified for dangerous goods transport can handle shipments. Vehicles must be equipped with appropriate emergency equipment and drivers must hold ADR certification. Temperature control and segregation from incompatible materials during transport are essential requirements.

Is (4-bromo-2,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidene-lambda5-phosphane subject to specific regulations?

(4-bromo-2,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidene-lambda5-phosphane is subject to comprehensive European chemical regulations including REACH registration requirements and CLP classification obligations. While not currently listed as an SVHC, its multiple hazard classifications require strict compliance with occupational health and safety directives. Environmental regulations apply due to its aquatic toxicity classifications. Import, handling, and use may require specific authorizations depending on quantities and applications. Companies must maintain detailed safety documentation and worker training records for regulatory compliance.

Where to buy (4-bromo-2,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidene-lambda5-phosphane in Europe?

(4-bromo-2,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidene-lambda5-phosphane is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this specialized organophosphorus compound with complete regulatory documentation, safety data sheets, and technical support for industrial customers. As a professional chemical distributor, OYSI ensures proper handling, packaging, and transport compliance with European regulations. Contact OYSI directly for availability, specifications, and technical assistance for your specific application requirements in pharmaceutical or chemical synthesis projects.

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(4-bromo-2,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidene-lambda5-phosphane 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.