3-[(6-chloro-3-pyridinyl)methyl-(2,2-difluoroethyl)amino]-2H-furan-5-one

C12H11ClF2N2O2

CAS951659-40-8
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
951659-40-8
UN Number
3077
Index Number
607-741-00-4
PubChem CID
16752772

Physical-chemical properties

Molecular Formula
C12H11ClF2N2O2
Molar Mass
288.68 g/mol
IUPAC Name
3-[(6-chloro-3-pyridinyl)methyl-(2,2-difluoroethyl)amino]-2H-furan-5-one

Chemical Identifiers

InChI
InChI=1S/C12H11ClF2N2O2/c13-10-2-1-8(4-16-10)5-17(6-11(14)15)9-3-12(18)19-7-9/h1-4,11H,5-7H2
InChI Key
QOIYTRGFOFZNKF-UHFFFAOYSA-N

Overview

3-[(6-chloro-3-pyridinyl)methyl-(2,2-difluoroethyl)amino]-2H-furan-5-one (CAS 951659-40-8) is an organofluorine compound featuring pyridine and furanone structural motifs with notable insecticidal properties. This specialized chemical compound represents a sophisticated example of modern synthetic chemistry, incorporating multiple functional groups including a chlorinated pyridine ring, difluoroethyl substituent, and furanone core structure. The molecular formula C12H11ClF2N2O2 reflects its complex architecture, with a molecular weight of 288.68 g/mol. The presence of fluorine atoms and the pyridine nitrogen contribute to its unique chemical and biological properties, making it valuable in various industrial applications. The compound exhibits significant biological activity, particularly in pest control formulations, where its structural similarity to other nitrogen-containing heterocycles like 4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one demonstrates the importance of nitrogen heterocycles in agrochemical development. The chloropyridine moiety is a common pharmacophore in many bioactive compounds, contributing to receptor binding and biological efficacy. Safety considerations are paramount when handling this substance, as indicated by its GHS07, GHS08, and GHS09 pictograms. The compound is classified as Acute Tox. 4, STOT RE 2, and presents aquatic toxicity concerns (Aquatic Acute 1; Aquatic Chronic 1), requiring appropriate protective equipment and environmental precautions during use and storage. Primary applications include formulation ingredients for agricultural chemicals, research and development of novel pest control agents, and specialty chemical synthesis. The compound's unique structural features make it particularly valuable for developing targeted biological activity profiles. OYSI maintains reliable supply chains for this specialized chemical compound, ensuring consistent availability for qualified industrial and research customers across European markets.

Safety & Classification

Warning
Classification:

Acute Tox. 4; STOT RE 2; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

H373

May cause damage to organs through prolonged or repeated exposure.

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

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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameFlupyradifuron
Marine PollutantNo

Frequently Asked Questions

What is 3-[(6-chloro-3-pyridinyl)methyl-(2,2-difluoroethyl)amino]-2H-furan-5-one?

3-[(6-chloro-3-pyridinyl)methyl-(2,2-difluoroethyl)amino]-2H-furan-5-one is an organofluorine compound with the molecular formula C12H11ClF2N2O2 and CAS number 951659-40-8. This chemical features a complex structure containing pyridine, furanone, and fluorinated ethyl groups. With a molecular weight of 288.68 g/mol, it belongs to the class of heterocyclic compounds and is classified as hazardous with multiple safety concerns including acute toxicity and environmental risks.

What are the physicochemical properties of 3-[(6-chloro-3-pyridinyl)methyl-(2,2-difluoroethyl)amino]-2H-furan-5-one?

3-[(6-chloro-3-pyridinyl)methyl-(2,2-difluoroethyl)amino]-2H-furan-5-one has a molecular weight of 288.68 g/mol and molecular formula C12H11ClF2N2O2. The compound contains chlorine and fluorine substituents which influence its chemical behavior and stability. Its heterocyclic structure with pyridine and furanone rings affects its polarity and potential reactivity. Specific physical properties like melting point, boiling point, and solubility data should be obtained from detailed technical specifications or safety data sheets.

What is 3-[(6-chloro-3-pyridinyl)methyl-(2,2-difluoroethyl)amino]-2H-furan-5-one used for?

3-[(6-chloro-3-pyridinyl)methyl-(2,2-difluoroethyl)amino]-2H-furan-5-one is primarily used as a chemical intermediate in pharmaceutical and agrochemical synthesis. Its complex heterocyclic structure makes it valuable for developing bioactive compounds and specialty chemicals. The presence of multiple functional groups allows for further chemical modifications in research and development applications. Industrial applications may include use as a building block in fine chemical manufacturing and as a precursor for more complex molecular structures.

How to handle 3-[(6-chloro-3-pyridinyl)methyl-(2,2-difluoroethyl)amino]-2H-furan-5-one safely?

3-[(6-chloro-3-pyridinyl)methyl-(2,2-difluoroethyl)amino]-2H-furan-5-one requires careful handling due to its Acute Tox. 4 classification and STOT RE 2 designation. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and appropriate respiratory protection. Work should be conducted in well-ventilated areas or under fume extraction. Avoid skin and eye contact, inhalation, and ingestion. Use proper laboratory techniques and ensure adequate training before handling this substance.

How to store 3-[(6-chloro-3-pyridinyl)methyl-(2,2-difluoroethyl)amino]-2H-furan-5-one correctly?

3-[(6-chloro-3-pyridinyl)methyl-(2,2-difluoroethyl)amino]-2H-furan-5-one should be stored in tightly sealed containers in a cool, dry, and well-ventilated area away from incompatible materials. Due to its environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1), prevent release to the environment and store away from water sources. Keep containers properly labeled and ensure storage areas meet local safety regulations. Maintain appropriate temperature conditions and protect from direct sunlight and sources of ignition.

What to do in case of contact with 3-[(6-chloro-3-pyridinyl)methyl-(2,2-difluoroethyl)amino]-2H-furan-5-one?

Immediate medical attention is recommended for any exposure to 3-[(6-chloro-3-pyridinyl)methyl-(2,2-difluoroethyl)amino]-2H-furan-5-one due to its acute toxicity classification. For skin contact, remove contaminated clothing and wash affected area with plenty of water. In case of eye contact, flush with water for at least 15 minutes. If inhaled, move to fresh air and seek medical attention. For ingestion, do not induce vomiting and contact poison control immediately. Always consult the safety data sheet for detailed emergency procedures.

How to dispose of 3-[(6-chloro-3-pyridinyl)methyl-(2,2-difluoroethyl)amino]-2H-furan-5-one properly?

3-[(6-chloro-3-pyridinyl)methyl-(2,2-difluoroethyl)amino]-2H-furan-5-one must be disposed of as hazardous waste through licensed waste management facilities due to its environmental and health hazard classifications. Never dispose of this substance in regular waste, sewers, or water systems due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications. Contact certified hazardous waste disposal companies and follow local environmental regulations. Ensure proper documentation and chain of custody for waste disposal compliance.

How to transport 3-[(6-chloro-3-pyridinyl)methyl-(2,2-difluoroethyl)amino]-2H-furan-5-one?

3-[(6-chloro-3-pyridinyl)methyl-(2,2-difluoroethyl)amino]-2H-furan-5-one is classified under ADR Class 9, Packing Group III for transportation purposes. This classification indicates it is a miscellaneous dangerous substance requiring specific packaging, labeling, and documentation for transport. Packages must meet UN specification standards and display appropriate hazard labels. Transportation should only be conducted by trained personnel familiar with dangerous goods regulations. Ensure compliance with international transportation regulations including ADR for road transport within Europe.

Is 3-[(6-chloro-3-pyridinyl)methyl-(2,2-difluoroethyl)amino]-2H-furan-5-one subject to specific regulations?

3-[(6-chloro-3-pyridinyl)methyl-(2,2-difluoroethyl)amino]-2H-furan-5-one is subject to multiple regulatory frameworks including REACH registration requirements in Europe and CLP classification regulations. While not currently identified as a Substance of Very High Concern (SVHC), its hazard classifications require compliance with chemical safety regulations. The substance must be properly classified, labeled, and accompanied by safety data sheets. Industrial users must implement appropriate risk management measures and may require authorization for certain uses under chemical safety legislation.

Where to buy 3-[(6-chloro-3-pyridinyl)methyl-(2,2-difluoroethyl)amino]-2H-furan-5-one in Europe?

3-[(6-chloro-3-pyridinyl)methyl-(2,2-difluoroethyl)amino]-2H-furan-5-one is available through OYSI, a specialized European distributor of technical chemicals and intermediates. OYSI provides this compound to qualified industrial customers, research institutions, and pharmaceutical companies across Europe. As a regulated chemical substance, purchases require appropriate documentation and compliance with safety regulations. Contact OYSI directly for availability, specifications, and regulatory compliance support for your specific application requirements.

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3-[(6-chloro-3-pyridinyl)methyl-(2,2-difluoroethyl)amino]-2H-furan-5-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.