(2Z)-2-[2-fluoro-5-(trifluoromethyl)phenyl]sulfanyl-2-[3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]acetonitrile
C19H14F4N2OS2
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Identification
- CAS Number
- 958647-10-4
- EC Number
- 812-888-4
- UN Number
- 3077
- Index Number
- 608-068-00-9
- PubChem CID
- 44151818
Physical-chemical properties
- Molecular Formula
- C19H14F4N2OS2
- Molar Mass
- 426.50 g/mol
- IUPAC Name
- (2Z)-2-[2-fluoro-5-(trifluoromethyl)phenyl]sulfanyl-2-[3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]acetonitrile
Chemical Identifiers
- InChI
- InChI=1S/C19H14F4N2OS2/c1-26-15-5-3-2-4-14(15)25-8-9-27-18(25)17(11-24)28-16-10-12(19(21,22)23)6-7-13(16)20/h2-7,10H,8-9H2,1H3/b18-17-
- InChI Key
- KGXUEPOHGFWQKF-ZCXUNETKSA-N
Overview
(2Z)-2-[2-fluoro-5-(trifluoromethyl)phenyl]sulfanyl-2-[3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]acetonitrile (CAS 958647-10-4) is a fluorinated organosulfur compound with thiazolidine functionality and nitrile reactivity. This specialized chemical intermediate features a complex molecular structure incorporating multiple fluorine substituents, a thiazolidine ring system, and sulfur linkages, making it valuable for advanced synthetic applications. With a molecular formula of C19H14F4N2OS2 and molecular weight of 426.5 g/mol, this compound exhibits the characteristic properties of highly fluorinated organic molecules, including enhanced chemical stability and unique electronic properties. The presence of both trifluoromethyl and fluoro substituents on the phenyl ring significantly influences the compound's reactivity profile and biological activity. The thiazolidine moiety provides additional synthetic versatility, while the acetonitrile group offers potential for further functionalization. Unlike simpler heterocyclic compounds such as 3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine, this molecule's multiple functional groups enable diverse chemical transformations. From a safety perspective, this substance is classified as Aquatic Chronic 1, indicating potential long-term environmental hazards to aquatic ecosystems. It carries the GHS09 pictogram and "Warning" signal word, requiring appropriate handling precautions and environmental protection measures during use and disposal. Primary industrial applications include pharmaceutical intermediate synthesis, agrochemical development, and specialty materials research. The compound's unique structural features make it particularly valuable in medicinal chemistry for developing novel therapeutic agents and in materials science for creating advanced polymeric materials. OYSI maintains reliable supply chains for this specialized fluorinated compound, ensuring consistent availability for European industrial customers requiring high-purity chemical intermediates.
Safety & Classification
Aquatic Chronic 1
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
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
Transport (ADR)
| UN Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Flutianil (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is (2Z)-2-[2-fluoro-5-(trifluoromethyl)phenyl]sulfanyl-2-[3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]acetonitrile?
(2Z)-2-[2-fluoro-5-(trifluoromethyl)phenyl]sulfanyl-2-[3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]acetonitrile is a complex organofluorine compound with molecular formula C19H14F4N2OS2. This chemical substance has a molecular weight of 426.5 g/mol and contains multiple functional groups including fluorinated aromatic rings, thiazolidine, and nitrile groups. It is registered under CAS number 958647-10-4 and is classified as hazardous to the aquatic environment with chronic toxicity.
What are the physicochemical properties of (2Z)-2-[2-fluoro-5-(trifluoromethyl)phenyl]sulfanyl-2-[3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]acetonitrile?
This compound is a solid organic substance with a molecular weight of 426.5 g/mol and the molecular formula C19H14F4N2OS2. The presence of multiple fluorine atoms and aromatic rings suggests it is likely a crystalline solid at room temperature with limited water solubility due to its highly lipophilic nature. The compound contains sulfur, nitrogen, and oxygen heteroatoms along with methoxy and trifluoromethyl substituents, which influence its physical properties and chemical stability.
What is (2Z)-2-[2-fluoro-5-(trifluoromethyl)phenyl]sulfanyl-2-[3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]acetonitrile used for?
This compound is typically used as an intermediate in pharmaceutical research and organic synthesis applications. Its complex structure containing fluorinated aromatic rings, thiazolidine moiety, and nitrile functionality makes it valuable for developing bioactive molecules and agrochemicals. The compound may serve as a building block in medicinal chemistry programs or as a reference standard in analytical laboratories. Its specific applications depend on the research objectives and synthetic pathways being pursued.
How to handle (2Z)-2-[2-fluoro-5-(trifluoromethyl)phenyl]sulfanyl-2-[3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]acetonitrile safely?
Safe handling requires standard laboratory personal protective equipment including safety goggles, chemical-resistant gloves, and lab coats. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid direct skin and eye contact, and prevent ingestion. Given its aquatic chronic toxicity classification (Aquatic Chronic 1), special care must be taken to prevent environmental release. Follow good laboratory practices and consult the safety data sheet for specific handling procedures.
How to store (2Z)-2-[2-fluoro-5-(trifluoromethyl)phenyl]sulfanyl-2-[3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]acetonitrile correctly?
This compound should be stored in tightly sealed containers in a cool, dry, and well-ventilated area away from direct sunlight and heat sources. Keep containers properly labeled and segregated from incompatible materials such as strong acids, bases, and oxidizing agents. Storage areas should have appropriate containment measures to prevent environmental release given its aquatic toxicity classification. Maintain storage temperatures according to supplier specifications and inspect containers regularly for integrity.
What to do in case of contact with (2Z)-2-[2-fluoro-5-(trifluoromethyl)phenyl]sulfanyl-2-[3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]acetonitrile?
Immediate first aid measures include removing contaminated clothing and flushing affected skin with plenty of water for at least 15 minutes. In case of eye contact, rinse thoroughly with water and seek medical attention. If inhaled, move the person to fresh air and monitor breathing. If ingested, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for specific first aid instructions and contact emergency services if serious symptoms develop.
How to dispose of (2Z)-2-[2-fluoro-5-(trifluoromethyl)phenyl]sulfanyl-2-[3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]acetonitrile appropriately?
Disposal must be conducted through licensed hazardous waste management facilities in accordance with local, national, and EU waste regulations. Due to its Aquatic Chronic 1 classification, this compound requires special handling to prevent environmental contamination. Do not dispose of in regular waste streams, sewers, or soil. Waste containers should be properly labeled and segregated. Contact certified waste disposal companies and follow all applicable WEEE, RoHS, and local environmental protection regulations for proper disposal procedures.
How to transport (2Z)-2-[2-fluoro-5-(trifluoromethyl)phenyl]sulfanyl-2-[3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]acetonitrile?
This compound is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transportation purposes. Packages must be properly labeled with appropriate hazard labels and comply with UN packaging requirements for Class 9 materials. Transportation documents must include proper shipping names, hazard classes, and emergency response information. Vehicles must carry appropriate placards and drivers should have ADR certification. Ensure packages are secure and protected from damage during transit.
Is (2Z)-2-[2-fluoro-5-(trifluoromethyl)phenyl]sulfanyl-2-[3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]acetonitrile subject to specific regulations?
This compound is subject to EU REACH and CLP regulations requiring registration, classification, and labeling compliance. It carries GHS09 pictogram with "Warning" signal word due to its Aquatic Chronic 1 classification under CLP. While not currently listed as a Substance of Very High Concern (SVHC), it must comply with environmental protection measures. Importers and users must ensure REACH registration and follow safety data sheet requirements. Additional national regulations may apply depending on intended use and quantities handled.
Where to buy (2Z)-2-[2-fluoro-5-(trifluoromethyl)phenyl]sulfanyl-2-[3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]acetonitrile in Europe?
OYSI is a reliable European distributor offering this specialized chemical compound to research institutions and industrial customers across Europe. As an established chemical supplier, OYSI provides quality products with proper documentation including certificates of analysis and safety data sheets. Contact OYSI directly to discuss availability, packaging options, and specific requirements for your applications. Professional chemical distributors like OYSI ensure compliance with European regulations and provide technical support for specialized compounds like this organofluorine intermediate.
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SDS Service
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Technical Consulting
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REACH Safety Data Sheet
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EU-compliant product documentation
ADR Consulting for (2Z)-2-[2-fluoro-5-(trifluoromethyl)phenyl]sulfanyl-2-[3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]acetonitrile
(2Z)-2-[2-fluoro-5-(trifluoromethyl)phenyl]sulfanyl-2-[3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]acetonitrile 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.