[methyl-oxo-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-lambda6-sulfanylidene]cyanamide

C10H10F3N3OS

CAS946578-00-3
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
946578-00-3
UN Number
3077
Index Number
616-217-00-4
PubChem CID
16723172

Physical-chemical properties

Molecular Formula
C10H10F3N3OS
Molar Mass
277.27 g/mol
IUPAC Name
[methyl-oxo-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-lambda6-sulfanylidene]cyanamide

Chemical Identifiers

InChI
InChI=1S/C10H10F3N3OS/c1-7(18(2,17)16-6-14)8-3-4-9(15-5-8)10(11,12)13/h3-5,7H,1-2H3
InChI Key
ZVQOOHYFBIDMTQ-UHFFFAOYSA-N

Overview

[Methyl-oxo-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-lambda6-sulfanylidene]cyanamide (CAS 946578-00-3) is a specialized organosulfur compound featuring trifluoromethyl-pyridine functionality with notable biological activity properties. This complex organosulfur compound represents an advanced synthetic molecule characterized by its unique lambda6-sulfanylidene core structure combined with a trifluoromethyl-substituted pyridine ring system. The molecular formula C10H10F3N3OS reflects the presence of fluorine, nitrogen, oxygen, and sulfur heteroatoms, contributing to its distinctive chemical properties and reactivity profile. With a molecular weight of 277.27 g/mol, this compound demonstrates the sophisticated molecular architecture typical of modern pharmaceutical and agrochemical intermediates. The substance exhibits moderate acute toxicity (Acute Tox. 4) and significant aquatic toxicity, requiring careful handling protocols and environmental protection measures. The GHS07 and GHS09 pictograms indicate both health hazards and environmental dangers, while the ADR Class 9 classification designates it as a miscellaneous dangerous substance for transport purposes. These safety characteristics necessitate appropriate personal protective equipment and specialized storage conditions. Industrial applications primarily focus on pharmaceutical intermediate synthesis and specialty chemical manufacturing, where the trifluoromethyl-pyridine moiety provides valuable building blocks for bioactive compound development. The compound's structural complexity makes it particularly relevant in medicinal chemistry applications, similar to how methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate serves as an intermediate in pharmaceutical synthesis. Research and development laboratories also utilize this compound for advanced organic synthesis projects requiring specialized organosulfur functionalities. OYSI maintains reliable supply chains for this specialized compound, ensuring consistent availability for qualified industrial customers across European markets.

Safety & Classification

Warning
Classification:

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

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful 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

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 NameSulfoxaflor (ISO)
Marine PollutantNo

Frequently Asked Questions

What is [methyl-oxo-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-lambda6-sulfanylidene]cyanamide?

[Methyl-oxo-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-lambda6-sulfanylidene]cyanamide is an organosulfur compound with the molecular formula C10H10F3N3OS and a molecular weight of 277.27 g/mol. This chemical features a pyridine ring substituted with a trifluoromethyl group and a lambda6-sulfanylidene cyanamide functional group. It is classified as moderately toxic and poses environmental hazards, particularly to aquatic organisms.

What are the physicochemical properties of [methyl-oxo-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-lambda6-sulfanylidene]cyanamide?

This compound is a solid organosulfur substance with a molecular weight of 277.27 g/mol and formula C10H10F3N3OS. The presence of trifluoromethyl groups typically confers enhanced chemical stability and lipophilicity. The lambda6-sulfur center and pyridine ring contribute to its unique chemical reactivity. Specific physical properties such as melting point, solubility, and appearance should be confirmed through technical data sheets from suppliers.

What is [methyl-oxo-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-lambda6-sulfanylidene]cyanamide used for?

This compound is primarily used as a specialized chemical intermediate in pharmaceutical and agrochemical synthesis. The trifluoromethyl-substituted pyridine structure makes it valuable for developing biologically active compounds with enhanced metabolic stability. Its unique sulfanylidene cyanamide functionality provides specific reactivity patterns useful in medicinal chemistry research and the production of advanced organic materials requiring precise molecular architecture.

How to handle [methyl-oxo-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-lambda6-sulfanylidene]cyanamide safely?

This compound requires careful handling due to its Acute Tox. 4 classification and environmental hazard profile. Always wear appropriate personal protective equipment including safety goggles, chemical-resistant gloves, and protective clothing. Work in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid direct skin and eye contact, and prevent release into the environment due to its aquatic toxicity classification.

How to store [methyl-oxo-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-lambda6-sulfanylidene]cyanamide properly?

Store this compound in tightly sealed, properly labeled containers in a cool, dry, well-ventilated area away from incompatible materials. Keep containers away from heat sources and direct sunlight. Due to its environmental hazard classification, ensure storage areas have appropriate spill containment measures. Follow local regulations for chemical storage and maintain inventory records. Store away from oxidizing agents and moisture-sensitive conditions.

What to do in case of contact with [methyl-oxo-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-lambda6-sulfanylidene]cyanamide?

In case of skin contact, immediately wash thoroughly with soap and water for at least 15 minutes and remove contaminated clothing. For eye contact, rinse immediately with plenty of clean water for 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. If ingested, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for specific first aid measures.

How to dispose of [methyl-oxo-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-lambda6-sulfanylidene]cyanamide properly?

This compound must be disposed of as hazardous waste due to its toxicity and environmental hazard classifications. Never dispose of it through regular waste streams or pour into drains. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Follow all local, national, and EU regulations regarding chemical waste disposal. Maintain documentation of all disposal activities for regulatory compliance purposes.

How to transport [methyl-oxo-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-lambda6-sulfanylidene]cyanamide?

This compound is classified as ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III for transport purposes. It must be packaged in UN specification packaging with appropriate hazard labels and documentation. Transport vehicles must comply with ADR regulations for Class 9 substances. Ensure proper documentation including dangerous goods declarations and emergency response information accompanies all shipments.

Is [methyl-oxo-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-lambda6-sulfanylidene]cyanamide subject to specific regulations?

This compound is subject to EU REACH and CLP regulations but is not currently listed as a Substance of Very High Concern (SVHC). It must be classified and labeled according to CLP with Warning signal word and GHS07/GHS09 pictograms. Users must comply with chemical safety requirements, maintain safety data sheets, and follow occupational exposure limits where applicable under workplace safety regulations.

Where to buy [methyl-oxo-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-lambda6-sulfanylidene]cyanamide in Europe?

OYSI is a reliable European distributor offering this specialized chemical compound to professional users and industrial customers. As an established chemical distributor, OYSI provides proper documentation, safety data sheets, and regulatory compliance support. Contact OYSI directly for availability, technical specifications, and pricing information. Ensure your intended use complies with applicable regulations before purchasing this regulated chemical substance.

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Data Sources

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