[methyl-oxo-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-lambda6-sulfanylidene]cyanamide
C10H10F3N3OS
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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 with trifluoromethyl-pyridine functionality and pronounced environmental hazard properties. This complex sulfur-containing compound features a distinctive molecular structure combining a pyridine ring substituted with a trifluoromethyl group, linked to a lambda6-sulfanylidene moiety bearing both methyl and cyanamide substituents. With a molecular formula of C10H10F3N3OS and molecular weight of 277.27 g/mol, this substance represents an advanced synthetic intermediate in pharmaceutical and agrochemical research. The compound exhibits significant toxicological properties, classified under GHS as Acute Tox. 4 with warning signal word and GHS07 pictogram indicating potential health hazards upon exposure. Of particular concern are its aquatic toxicity characteristics, classified as both Aquatic Acute 1 and Aquatic Chronic 1, requiring the GHS09 environmental hazard pictogram. These properties necessitate careful handling protocols and environmental containment measures during industrial processing. Transportation regulations classify this material under ADR Class 9 (miscellaneous dangerous substances), reflecting its specialized hazard profile that differs from conventional chemical categories. The trifluoromethyl-pyridine structural framework shares certain characteristics with other specialized intermediates such as methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate, though each compound maintains distinct reactivity patterns. Primary industrial applications include pharmaceutical intermediate synthesis, particularly in the development of bioactive compounds requiring trifluoromethyl-substituted heterocycles. The compound also finds use in specialized agrochemical formulations and advanced materials research where its unique electronic properties prove valuable. OYSI maintains reliable supply chains for this specialized compound, ensuring consistent availability for European industrial customers requiring high-purity organosulfur intermediates.
Safety & Classification
Acute Tox. 4; Aquatic Acute 1; Aquatic Chronic 1
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
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
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 Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Sulfoxaflor (ISO) |
| Marine Pollutant | No |
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 CAS number 946578-00-3. This chemical features a complex structure containing pyridine, trifluoromethyl, and sulfanylidene functional groups. With a molecular weight of 277.27 g/mol, it is classified as a moderately hazardous substance requiring careful handling due to its acute toxicity and environmental impact concerns.
What are the physicochemical properties of [methyl-oxo-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-lambda6-sulfanylidene]cyanamide?
[Methyl-oxo-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-lambda6-sulfanylidene]cyanamide is a solid compound at room temperature with a molecular weight of 277.27 g/mol. The presence of trifluoromethyl groups typically imparts chemical stability and influences solubility properties. The compound contains nitrogen, sulfur, and fluorine heteroatoms, which affect its polarity and interaction with solvents. Specific physical properties such as melting point, boiling point, and solubility data should be confirmed through technical datasheets.
What is [methyl-oxo-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-lambda6-sulfanylidene]cyanamide used for?
[Methyl-oxo-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-lambda6-sulfanylidene]cyanamide is primarily used as a chemical intermediate in pharmaceutical and agrochemical synthesis. Its complex molecular structure containing pyridine and trifluoromethyl groups makes it valuable for developing bioactive compounds. The substance may serve as a building block in medicinal chemistry research and specialized chemical manufacturing processes. Industrial applications typically involve controlled synthesis operations requiring specialized handling expertise.
How to handle [methyl-oxo-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-lambda6-sulfanylidene]cyanamide safely?
[Methyl-oxo-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-lambda6-sulfanylidene]cyanamide requires careful handling due to its Acute Tox. 4 classification. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume extraction systems to prevent inhalation exposure. Avoid skin and eye contact, and ensure proper hygiene practices including thorough handwashing after handling. Emergency eyewash stations and safety showers should be readily accessible in work areas.
How to store [methyl-oxo-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-lambda6-sulfanylidene]cyanamide correctly?
[Methyl-oxo-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-lambda6-sulfanylidene]cyanamide should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from incompatible materials. Keep containers protected from moisture and extreme temperatures to maintain product stability. Due to its aquatic toxicity classification, prevent environmental release during storage. Store away from oxidizing agents and bases. Implement appropriate containment measures and maintain proper inventory management including first-in-first-out rotation principles.
What to do in case of contact with [methyl-oxo-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-lambda6-sulfanylidene]cyanamide?
Immediate action is required if contact with [methyl-oxo-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-lambda6-sulfanylidene]cyanamide occurs. For skin contact, remove contaminated clothing and rinse thoroughly with water for at least 15 minutes. In case of eye contact, flush immediately with clean water for 15-20 minutes while holding eyelids open. If inhaled, move to fresh air immediately. Seek medical attention if symptoms develop or persist. Do not induce vomiting if swallowed; rinse mouth and seek immediate medical advice.
How to dispose of [methyl-oxo-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-lambda6-sulfanylidene]cyanamide appropriately?
[Methyl-oxo-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-lambda6-sulfanylidene]cyanamide must be disposed of through licensed hazardous waste disposal facilities due to its toxicity and environmental impact classifications. Never discharge into sewers, waterways, or soil due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications. Contaminated packaging should also be treated as hazardous waste. Follow local and national waste regulations, and maintain proper documentation of disposal activities. Contact certified waste management companies for collection and treatment services.
How to transport [methyl-oxo-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-lambda6-sulfanylidene]cyanamide?
[Methyl-oxo-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-lambda6-sulfanylidene]cyanamide is classified as ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III for transportation purposes. This classification requires appropriate packaging, labeling, and documentation according to dangerous goods regulations. Packages must bear proper shipping names, UN numbers, and hazard labels. Transport vehicles should carry appropriate emergency response information and spill control materials. Drivers must hold valid dangerous goods transportation certificates and follow prescribed routing restrictions.
Is [methyl-oxo-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-lambda6-sulfanylidene]cyanamide subject to specific regulations?
[Methyl-oxo-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-lambda6-sulfanylidene]cyanamide is subject to standard chemical regulations including REACH registration requirements and CLP classification obligations in Europe. The substance is not currently listed as a Substance of Very High Concern (SVHC). Users must comply with safety data sheet requirements, proper labeling with GHS07 and GHS09 pictograms, and workplace exposure controls. Import/export may require additional documentation depending on destination countries and intended use applications.
Where to buy [methyl-oxo-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-lambda6-sulfanylidene]cyanamide in Europe?
[Methyl-oxo-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-lambda6-sulfanylidene]cyanamide is available through OYSI, a specialized European distributor of technical chemicals and intermediates. OYSI provides professional-grade chemicals with proper documentation, safety data sheets, and regulatory compliance support. As a specialized chemical intermediate, this substance is typically supplied to qualified industrial users, research institutions, and pharmaceutical companies. Contact OYSI directly for availability, specifications, packaging options, and technical support for your specific application requirements.
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[methyl-oxo-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-lambda6-sulfanylidene]cyanamide is a dangerous good. We support you with labeling, packaging, and transport documentation.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.