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 significant toxicity and aquatic environmental hazards. This specialized chemical compound belongs to the chromen-2-one family and features a complex molecular structure incorporating both organophosphorus and coumarin moieties. With a molecular formula of C14H16ClO5PS and molecular weight of 362.8 g/mol, this substance exhibits distinctive chemical properties that make it valuable in specific industrial applications while requiring careful handling protocols. The compound is classified under multiple acute toxicity categories (Acute Tox. 2 and 4) and presents significant environmental concerns as an aquatic pollutant (Aquatic Acute 1, Aquatic Chronic 1). These hazard classifications necessitate strict safety measures during storage, handling, and transportation, reflected in its ADR Class 6.1 designation and GHS06/GHS09 pictograms indicating both acute toxicity and environmental hazards. Safety considerations are paramount when working with this material, requiring appropriate personal protective equipment, controlled storage conditions, and specialized waste disposal procedures. The compound's organophosphorus structure places it in a category similar to other phosphorus-containing chemicals like 3-(dimethoxyphosphinothioylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazol-2-one, though each compound has distinct properties and applications. Primary industrial applications include use as an intermediate in pharmaceutical synthesis, specialized research applications, and as a component in certain analytical standards. The compound's unique coumarin-phosphorus hybrid structure makes it particularly valuable in organic synthesis processes requiring specific reactivity patterns. OYSI maintains availability of 3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one for qualified industrial customers with appropriate handling capabilities and regulatory compliance.

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 organophosphate compound with 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 highly toxic substance with acute toxicity properties and significant environmental hazards, particularly to aquatic life.

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 organophosphate compound at room temperature with a molecular weight of 362.8 g/mol. The substance contains chlorine, phosphorus, and sulfur atoms within its complex molecular structure. Specific physical properties such as melting point, boiling point, and solubility characteristics should be verified through the safety data sheet for precise handling requirements.

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 pharmaceutical and agrochemical synthesis. Due to its organophosphate structure, it may serve as a precursor in the development of various bioactive compounds. The substance requires specialized handling due to its high toxicity classification and should only be used by trained professionals in controlled industrial environments.

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

3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one must be handled with extreme caution due to its Acute Tox. 2 and 4 classifications. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and respiratory protection. Work should be conducted in well-ventilated areas or under fume hoods. Avoid skin contact, inhalation, and ingestion. Emergency procedures and antidotes should be readily available before handling.

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

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 substance must be kept in tightly sealed, original containers with appropriate labeling including GHS06 and GHS09 pictograms. Storage areas should be secured and accessible only to trained personnel, with spill containment measures in place due to its environmental hazard classification.

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

Immediate action is required if contact occurs with 3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one due to its high acute toxicity. For skin contact, remove contaminated clothing and wash thoroughly with soap and water. If inhaled, move to fresh air immediately. In case of eye contact, flush with clean water for at least 15 minutes. Seek immediate medical attention for all exposure routes and provide the safety data sheet to medical personnel.

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

3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one must be disposed of as hazardous waste through authorized waste management companies. The substance cannot be disposed of in regular waste streams due to its acute toxicity and environmental hazard classifications. Disposal must comply with local and European waste regulations, including proper labeling and documentation. Containers should be emptied completely but not cleaned before 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 high toxicity requiring special transport precautions. Transportation must comply with ADR regulations for dangerous goods, including proper packaging, labeling, and documentation. Only certified carriers with appropriate permits should handle the transport, and emergency response information must accompany 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 comprehensive European chemical regulations including REACH registration requirements and CLP classification obligations. The substance is not currently listed as an SVHC but must comply with strict handling, labeling, and safety data sheet requirements. Users must implement appropriate risk management measures and may need authorization for certain uses due to its high toxicity profile.

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. OYSI provides this highly regulated substance to qualified industrial customers with appropriate handling capabilities and regulatory compliance. Due to the substance's toxicity classification and transport restrictions, purchase requires proper documentation and adherence to strict safety and regulatory requirements throughout the supply chain.

Data Sources

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