3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one

C14H16ClO5PS

CAS56-72-4
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
56-72-4
EC Number
200-285-3
UN Number
3027
Index Number
015-038-00-3
PubChem CID
2871

Physical-chemical properties

Molecular Formula
C14H16ClO5PS
Molar Mass
362.80 g/mol
IUPAC Name
3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one

Chemical Identifiers

InChI
InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3
InChI Key
BXNANOICGRISHX-UHFFFAOYSA-N

Overview

3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one (CAS 56-72-4) is an organophosphorus compound with potent biological activity and significant toxicological properties. This specialized chemical compound belongs to the coumarin derivative family, featuring a complex molecular structure that incorporates both organophosphorus and chlorinated aromatic components. With a molecular formula of C14H16ClO5PS and molecular weight of 362.8 g/mol, this substance exhibits unique chemical properties that make it valuable for specific industrial applications while requiring careful handling protocols. The compound presents significant safety considerations, classified under multiple hazard categories including Acute Toxicity levels 2 and 4, along with acute and chronic aquatic toxicity classifications. The presence of GHS06 and GHS09 pictograms indicates both acute toxicity and environmental hazards, necessitating strict adherence to safety protocols during storage, handling, and transportation. Its ADR classification of 6.1 further emphasizes the toxic nature of this material, requiring specialized logistics and regulatory compliance. From a chemical perspective, this organophosphorus compound shares certain structural characteristics with other bioactive molecules in industrial chemistry, though it differs significantly from simpler compounds like N-methylaniline in terms of complexity and hazard profile. The phosphinothioyloxy group contributes to its distinctive reactivity patterns and biological activity. Primary industrial applications include specialized chemical synthesis processes, research and development activities, and specific manufacturing applications where its unique molecular structure provides essential functionality. The compound serves as an important intermediate in certain synthetic pathways and specialized industrial processes. OYSI maintains availability of 3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one through its European distribution network, ensuring reliable supply with comprehensive technical support and regulatory documentation.

Safety & Classification

Danger
Classification:

Acute Tox. 4 *; Acute Tox. 2 *; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H312

Harmful in contact with skin.

H300

Fatal 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

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

Fatal

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 Number3027
ADR Class6.1
Packing GroupII
Tunnel CodeD/E
Proper Shipping NameCoumaphos (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one?

3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one is an organophosphorus compound with the CAS number 56-72-4 and molecular formula C14H16ClO5PS. This chemical substance has a molecular weight of 362.8 g/mol and belongs to the coumarin derivative family. It is classified as a hazardous substance with acute toxicity properties and significant environmental risks, particularly to aquatic organisms.

What are the physicochemical properties of 3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one?

3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one is a solid organophosphorus compound at room temperature with a molecular weight of 362.8 g/mol. The substance contains chlorine, phosphorus, and sulfur atoms within its coumarin-based structure. Specific physical properties such as melting point, boiling point, and solubility characteristics should be confirmed through technical data sheets due to the specialized nature of this chemical compound.

What is 3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one used for?

3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one is primarily used as a chemical intermediate in specialized industrial applications. Given its organophosphorus structure and coumarin backbone, it may serve as a precursor in the synthesis of pharmaceuticals, agrochemicals, or other fine chemicals. Its specific applications depend on the requirements of chemical manufacturers and research institutions working with phosphorus-containing organic compounds.

How to safely handle 3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one?

3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one requires careful handling due to its Acute Toxicity classification (Acute Tox. 2 and 4). Personal protective equipment including chemical-resistant gloves, safety goggles, and respiratory protection must be worn. Work should be conducted in well-ventilated areas or under fume extraction. Avoid skin and eye contact, inhalation, and ingestion. Emergency washing facilities should be readily available.

How to properly store 3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one?

3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one should be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. The storage area must be secured and accessible only to authorized personnel due to its acute toxicity classification. Original containers should be tightly sealed and properly labeled. Storage should comply with local regulations for toxic substances and include appropriate spill containment measures.

What to do in case of contact with 3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one?

In case of skin contact with 3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one, immediately remove contaminated clothing and wash the affected area with plenty of soap and water. For eye contact, rinse immediately with clean water for at least 15 minutes. If inhaled, move to fresh air immediately. If ingested, do not induce vomiting. Seek immediate medical attention in all cases and provide the safety data sheet to medical personnel.

How to properly dispose of 3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one?

3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one must be disposed of through licensed hazardous waste disposal facilities due to its acute toxicity and environmental hazard classifications. The substance cannot be disposed of in regular waste streams or sewage systems due to its aquatic toxicity. Disposal must comply with local, national, and EU waste regulations. Contact certified waste management companies specialized in toxic chemical disposal.

How to transport 3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one?

3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one is classified under ADR Class 6.1 (Toxic substances), Packing Group II, indicating moderate toxicity for transport purposes. Transportation requires appropriate UN-specification packaging, proper labeling with GHS06 and GHS09 pictograms, and accompanying transport documents. Only certified carriers trained in hazardous materials transport should handle shipments. Emergency response information must accompany all shipments.

Is 3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one subject to specific regulations?

3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one is subject to EU REACH regulation and CLP classification requirements due to its hazardous properties. The substance is not currently listed as an SVHC (Substance of Very High Concern). Users must comply with occupational exposure limits, environmental discharge restrictions, and notification requirements. Import, use, and handling may require specific authorizations depending on quantities and applications.

Where to buy 3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one in Europe?

3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one is available through OYSI, a specialized European distributor of technical chemicals. As an established supplier of hazardous chemicals, OYSI can provide this substance with proper documentation, safety data sheets, and regulatory compliance support. Contact OYSI directly for availability, specifications, and delivery options across European markets while ensuring all regulatory requirements are met.

Data Sources

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