6-chloro-3-(dimethoxyphosphorylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one

C9H10ClN2O5PS

CAS35575-96-3
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
35575-96-3
EC Number
252-626-0
UN Number
2783
Index Number
613-338-00-4
PubChem CID
71482

Physical-chemical properties

Molecular Formula
C9H10ClN2O5PS
Molar Mass
324.68 g/mol
IUPAC Name
6-chloro-3-(dimethoxyphosphorylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one

Chemical Identifiers

InChI
InChI=1S/C9H10ClN2O5PS/c1-15-18(14,16-2)19-5-12-8-7(17-9(12)13)3-6(10)4-11-8/h3-4H,5H2,1-2H3
InChI Key
VNKBTWQZTQIWDV-UHFFFAOYSA-N

Overview

6-chloro-3-(dimethoxyphosphorylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one (CAS 35575-96-3) is a heterocyclic organophosphorus compound with notable biological activity and significant safety considerations. This complex organic molecule, with molecular formula C9H10ClN2O5PS and molecular weight 324.68 g/mol, belongs to the oxazolopyridinone class of compounds. The structure features a fused oxazole-pyridine ring system with a chlorine substituent and a dimethoxyphosphorylsulfanylmethyl side chain, making it structurally distinct from simpler aromatic compounds like N-methylaniline. The compound is classified under EC number 252-626-0 and requires careful handling due to its hazardous properties. Safety considerations are paramount when working with this substance, as it carries multiple hazard classifications including carcinogenicity (Category 2), acute toxicity (Categories 3 and 4), specific target organ toxicity (Category 1), skin sensitization, and aquatic toxicity. The compound displays GHS pictograms for health hazards (GHS08), acute toxicity (GHS06), and environmental dangers (GHS09), with "Danger" as the signal word. Transport regulations classify it under ADR Class 6.1 for toxic substances. Industrial applications typically focus on specialized chemical synthesis and research activities where the unique structural features of this oxazolopyridinone derivative provide specific functional properties. The compound may serve as an intermediate in pharmaceutical research or as a specialty reagent in organic synthesis processes requiring precise molecular architecture. OYSI maintains availability of this specialized organophosphorus compound for qualified industrial customers requiring high-purity chemical intermediates for technical applications.

Safety & Classification

Danger
Classification:

Carc. 2; Acute Tox. 3; Acute Tox. 4; STOT SE 1; Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H351

Suspected of causing cancer.

H331

Toxic if inhaled.

H302

Harmful if swallowed.

H370

Causes damage to organs.

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

Toxic

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

Irritant

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 Number2783
ADR Class6.1
Packing GroupIII
Tunnel CodeE
Proper Shipping NameAzamethiphos (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 6-chloro-3-(dimethoxyphosphorylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one?

6-chloro-3-(dimethoxyphosphorylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one is an organophosphorus compound with the molecular formula C9H10ClN2O5PS and CAS number 35575-96-3. This chemical features a complex heterocyclic structure combining an oxazolopyridinone core with a chlorine substituent and a dimethoxyphosphorylsulfanylmethyl side chain. With a molecular weight of 324.68 g/mol, it represents a specialized chemical intermediate used in various industrial applications requiring specific structural properties.

What are the physicochemical properties of 6-chloro-3-(dimethoxyphosphorylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one?

6-chloro-3-(dimethoxyphosphorylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one is a solid organophosphorus compound at room temperature with a molecular weight of 324.68 g/mol. The presence of both hydrophilic phosphate groups and lipophilic aromatic rings suggests moderate solubility in polar solvents. Its complex heterocyclic structure containing nitrogen, oxygen, phosphorus, and sulfur atoms contributes to its specific chemical reactivity and stability profile, making it suitable for specialized chemical processes.

What is 6-chloro-3-(dimethoxyphosphorylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one used for?

6-chloro-3-(dimethoxyphosphorylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one is primarily used as a chemical intermediate in pharmaceutical synthesis and specialty chemical manufacturing. Its unique heterocyclic structure makes it valuable for developing bioactive compounds and advanced materials. The compound serves in research and development applications where specific molecular architectures are required, particularly in medicinal chemistry and agrochemical development. Its organophosphorus nature also makes it relevant for specialized catalytic processes.

How to handle 6-chloro-3-(dimethoxyphosphorylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one safely?

6-chloro-3-(dimethoxyphosphorylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one requires careful handling due to its classification as Acute Tox. 3/4, Carc. 2, and Skin Sens. 1. 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 to prevent inhalation. Avoid skin and eye contact, and ensure proper training on emergency procedures. Regular monitoring and adherence to occupational exposure limits are crucial for safe handling.

How to store 6-chloro-3-(dimethoxyphosphorylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one properly?

6-chloro-3-(dimethoxyphosphorylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one should be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly sealed to prevent moisture absorption and contamination. Due to its toxic and potentially carcinogenic properties, storage must comply with local regulations for hazardous chemicals. Separate from oxidizing agents, strong bases, and food products. Implement appropriate access controls and inventory management to ensure safe handling and regulatory compliance.

What to do in case of contact with 6-chloro-3-(dimethoxyphosphorylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one?

Skin contact with 6-chloro-3-(dimethoxyphosphorylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one requires immediate removal of contaminated clothing and thorough washing with soap and water for at least 15 minutes. For eye contact, flush immediately with clean water for 15-20 minutes and seek medical attention. If inhaled, move to fresh air and monitor breathing. Given its Acute Tox. 3/4 classification, seek immediate medical attention for all significant exposures. Always have safety data sheets readily available and inform medical personnel of the specific chemical involved.

How to dispose of 6-chloro-3-(dimethoxyphosphorylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one appropriately?

6-chloro-3-(dimethoxyphosphorylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one must be disposed of as hazardous waste according to local and European regulations. Due to its toxic, carcinogenic, and environmentally hazardous properties (Aquatic Acute 1, Chronic 1), it requires specialized treatment through licensed waste management facilities. Never dispose of in regular waste streams or sewers. Contact certified hazardous waste disposal companies and maintain proper documentation. Small quantities may require incineration at high temperatures with appropriate emission controls.

How to transport 6-chloro-3-(dimethoxyphosphorylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one?

6-chloro-3-(dimethoxyphosphorylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one is classified under ADR as Class 6.1 (toxic substances), Packing Group III. Transportation requires appropriate UN-specification packaging, proper labeling with GHS pictograms (GHS06, GHS08, GHS09), and transport documents. Vehicles must carry appropriate emergency equipment and drivers need ADR training. The shipment must include safety data sheets and emergency response information. Ensure compliance with international dangerous goods regulations for road, rail, sea, or air transport.

Is 6-chloro-3-(dimethoxyphosphorylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one subject to specific regulations?

6-chloro-3-(dimethoxyphosphorylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one is subject to REACH registration requirements and CLP classification as Carc. 2, Acute Tox. 3/4, STOT SE 1, Skin Sens. 1, and Aquatic hazards. While not currently listed as an SVHC, its carcinogenic classification may trigger additional regulatory scrutiny. Users must comply with occupational health regulations, environmental discharge limits, and proper waste management protocols. Import/export may require permits depending on jurisdiction and intended use.

Where to buy 6-chloro-3-(dimethoxyphosphorylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one in Europe?

6-chloro-3-(dimethoxyphosphorylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides reliable supply chains for specialty organophosphorus compounds with proper regulatory documentation and safety data sheets. As an established chemical distributor, OYSI ensures compliance with European regulations including REACH registration and CLP classification requirements. Contact OYSI directly for availability, specifications, and technical support for your specific application requirements.

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6-chloro-3-(dimethoxyphosphorylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-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.