6-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one

C12H15ClNO4PS2

CAS2310-17-0
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
2310-17-0
EC Number
218-996-2
UN Number
2783
Index Number
015-067-00-1
PubChem CID
4793

Physical-chemical properties

Molecular Formula
C12H15ClNO4PS2
Molar Mass
367.80 g/mol
IUPAC Name
6-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one

Chemical Identifiers

InChI
InChI=1S/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3
InChI Key
IOUNQDKNJZEDEP-UHFFFAOYSA-N

Overview

6-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one (CAS 2310-17-0) is an organophosphorus compound with potent biological activity and specialized industrial applications. This complex heterocyclic molecule combines a benzoxazolone core structure with a phosphorothioate side chain, creating a compound with unique chemical properties and significant biological activity. The molecular formula C12H15ClNO4PS2 reflects its multi-functional nature, incorporating chlorine, nitrogen, oxygen, phosphorus, and sulfur atoms within a molecular weight of 367.8 g/mol. The compound is classified under EC number 218-996-2 and belongs to the organophosphorus family of chemicals. The substance exhibits considerable toxicological properties, classified as Acute Tox. 3-4 across multiple exposure routes, requiring careful handling protocols. It demonstrates skin sensitization potential and poses significant environmental concerns with Aquatic Acute 1 and Aquatic Chronic 1 classifications. The GHS06 and GHS09 pictograms indicate both acute toxicity and environmental hazard risks, while the ADR class 6.1 designation confirms its toxic substance classification for transportation purposes. Primary industrial applications include specialized pharmaceutical intermediates and research chemical synthesis. The compound's unique phosphorothioate structure makes it valuable in biochemical research and potential pharmaceutical development. Unlike simpler aromatic compounds such as N-methylaniline, this molecule's complex structure provides specific biological targeting capabilities. Safety considerations are paramount when handling this material, requiring appropriate personal protective equipment and environmental controls. The compound's environmental persistence and aquatic toxicity necessitate strict containment and disposal protocols. OYSI provides this specialized organophosphorus compound to qualified industrial customers with comprehensive safety documentation and regulatory compliance support.

Safety & Classification

Danger
Classification:

Acute Tox. 4 *; Acute Tox. 4 *; Acute Tox. 3 *; Skin Sens. 1; 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.

H301

Toxic if swallowed.

H317

May cause an allergic skin reaction.

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

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 GroupIII
Tunnel CodeE
Proper Shipping NamePhosalon (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 6-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one?

6-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one is an organophosphorus compound with CAS number 2310-17-0 and molecular formula C12H15ClNO4PS2. This chemical substance has a molecular weight of 367.8 g/mol and belongs to the benzoxazole family. It contains chlorine, phosphorus, and sulfur atoms in its structure, making it a complex heterocyclic compound with specific chemical properties and applications in specialized industrial processes.

What are the physicochemical properties of 6-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one?

6-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one is a solid compound at room temperature with a molecular weight of 367.8 g/mol. The presence of phosphorus, sulfur, and chlorine atoms in its structure influences its chemical reactivity and stability. Its solubility characteristics depend on the solvent polarity, with organic solvents typically providing better dissolution than water due to its complex organic structure and multiple functional groups.

What is 6-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one used for?

6-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one is primarily used as a chemical intermediate in specialized industrial applications. Its organophosphorus structure makes it valuable in the synthesis of advanced materials and pharmaceutical intermediates. The compound may also serve as a building block in research and development activities, particularly in organic chemistry laboratories where complex heterocyclic compounds are required for specific synthetic pathways and chemical transformations.

How to handle 6-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one safely?

Safe handling requires appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing due to its acute toxicity classification (Acute Tox. 3, 4) and skin sensitization potential. Work in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid direct skin and eye contact, and ensure emergency shower and eyewash stations are accessible. Use proper handling techniques to minimize dust generation and prevent accidental release into the environment.

How to store 6-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one correctly?

Proper storage requires a cool, dry, well-ventilated area away from incompatible materials and ignition sources. Keep containers tightly closed and properly labeled according to GHS requirements, displaying the appropriate pictogrammes (GHS06, GHS09). Store in original containers or approved chemical storage containers, segregated from oxidizing agents and bases. Implement appropriate containment measures to prevent environmental release, considering its aquatic toxicity classification. Regular inspection of storage conditions and container integrity is essential.

What to do in case of contact with 6-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one?

Immediate action includes removing contaminated clothing and rinsing affected skin or eyes with plenty of water for at least 15 minutes. If inhaled, move the person to fresh air immediately and monitor breathing. In case of ingestion, do not induce vomiting and seek immediate medical attention. Due to its acute toxicity classification, prompt medical evaluation is crucial for any significant exposure. Keep safety data sheets readily available for medical personnel and emergency responders.

How to dispose of 6-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one properly?

Disposal must comply with local, national, and European waste regulations due to its hazardous classification and environmental toxicity. This substance requires treatment as hazardous waste and cannot be disposed of in regular waste streams. Contact authorized waste management companies specialized in hazardous chemical disposal. Incineration at approved high-temperature facilities or chemical treatment may be required. Empty containers should also be treated as hazardous waste due to potential residue contamination.

How to transport 6-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one?

Transportation falls under ADR classification 6.1 (toxic substances), Packing Group III, indicating moderate danger level for transport. Proper shipping documentation, hazard labels, and appropriate packaging according to ADR regulations are mandatory. Vehicles must carry emergency equipment and drivers require ADR certification for dangerous goods transport. Ensure packages are properly marked with UN numbers and hazard pictogrammes. Emergency response information must accompany shipments for incident management.

Is 6-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one subject to specific regulations?

This substance is subject to European REACH regulation requiring registration for commercial use above certain tonnage thresholds. It is not currently listed as a Substance of Very High Concern (SVHC) but must comply with CLP regulation for classification and labeling. Transport is regulated under ADR as dangerous goods class 6.1. Users must ensure proper risk assessment, safety data sheet provision, and compliance with occupational health and environmental protection requirements.

Where to buy 6-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one in Europe?

OYSI serves as a reliable European distributor for 6-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one, providing quality chemical products to industrial customers across Europe. As a specialized chemical distributor, OYSI ensures proper documentation, safety data sheets, and regulatory compliance for hazardous substances. Contact OYSI directly for availability, technical specifications, and pricing information. Professional handling and shipping services ensure safe delivery while meeting all regulatory requirements for dangerous goods transport.

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6-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one 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.