Methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate
C20H19F3N2O4
methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate
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Identification
- CAS Number
- 141517-21-7
- UN Number
- 3077
- Index Number
- 607-424-00-0
- PubChem CID
- 11664966
Physical-chemical properties
- Molecular Formula
- C20H19F3N2O4
- Molar Mass
- 408.40 g/mol
- IUPAC Name
- methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate
Chemical Identifiers
- InChI
- InChI=1S/C20H19F3N2O4/c1-13(14-8-6-9-16(11-14)20(21,22)23)24-29-12-15-7-4-5-10-17(15)18(25-28-3)19(26)27-2/h4-11H,12H2,1-3H3/b24-13+,25-18+
- InChI Key
- ONCZDRURRATYFI-TVJDWZFNSA-N
Overview
Methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate (CAS 141517-21-7) is a complex organic compound featuring oxime ester functionality with trifluoromethyl substitution. This sophisticated chemical compound belongs to the class of methoxyimino acetates and represents an important intermediate in pharmaceutical and agrochemical synthesis. With a molecular formula of C20H19F3N2O4 and molecular weight of 408.4 g/mol, this substance exhibits distinctive structural features including both oxime ester and imine functionalities, along with a trifluoromethyl-substituted phenyl ring that enhances its chemical stability and biological activity. The compound's safety profile requires careful handling protocols, as it is classified under multiple hazard categories including skin sensitization, lactation concerns, and aquatic toxicity. 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. The "Warning" signal word reflects moderate hazard levels requiring appropriate personal protective equipment and containment measures during handling and storage. Industrial applications primarily focus on pharmaceutical intermediate synthesis and specialized chemical manufacturing processes. The compound's unique structural framework makes it valuable in the development of bioactive molecules and agrochemical formulations. Unlike simpler compounds such as 2-methylpropyl 2-(oxiran-2-yl)acetate, this complex molecule offers enhanced selectivity and potency in targeted applications. Its trifluoromethyl group provides improved metabolic stability compared to conventional organic intermediates. Professional chemical distributors like OYSI ensure reliable access to this specialized compound for qualified industrial customers requiring high-purity materials for research and manufacturing applications.
Safety & Classification
Lact.; Skin Sens. 1; 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
Skin Contact
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:
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 | Trifloxystrobin (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate?
Methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate is a complex organic compound with CAS number 141517-21-7 and molecular formula C20H19F3N2O4. This substance has a molecular weight of 408.4 g/mol and belongs to the class of specialized chemical intermediates. It is classified as hazardous with skin sensitization properties and poses risks to aquatic environments, requiring careful handling in industrial applications.
What are the physicochemical properties of methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate?
Methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate is an organic solid compound with a molecular weight of 408.4 g/mol. The presence of trifluoromethyl groups and aromatic rings suggests limited water solubility but good solubility in organic solvents. Its complex structure with multiple functional groups including ester, oxime, and aromatic components influences its stability and reactivity. Specific physical properties like melting point and density require laboratory analysis for precise determination.
What is methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate used for?
Methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate is primarily used as a chemical intermediate in pharmaceutical and agrochemical synthesis. Its complex structure makes it valuable for developing specialized compounds requiring specific molecular configurations. The compound may serve as a building block in the production of active pharmaceutical ingredients or crop protection chemicals. Its applications are typically limited to professional industrial use due to its specialized nature and regulatory requirements.
How to handle methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate safely?
Methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate requires careful handling due to its skin sensitization properties (Skin Sens. 1). Use appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume hoods to minimize exposure. Avoid direct skin and eye contact. Implement proper hygiene measures including thorough handwashing after handling. Train personnel on proper handling procedures and emergency response protocols.
How to store methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate correctly?
Methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate should be stored in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Keep containers tightly closed and properly labeled. Store separately from incompatible materials and food products. Maintain storage temperatures as recommended by the supplier. Implement appropriate containment measures to prevent environmental release due to its aquatic toxicity classification. Regular inventory checks and proper rotation ensure product integrity and regulatory compliance.
What to do in case of contact with methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate?
Immediate action is required for contact with methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate due to its skin sensitization properties. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. For eye contact, flush immediately with clean water for 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. Seek medical attention if irritation persists or allergic reactions develop. Do not induce vomiting if ingested.
How to dispose of methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate appropriately?
Methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate must be disposed of through authorized hazardous waste disposal facilities due to its environmental toxicity classification (Aquatic Acute 1, Aquatic Chronic 1). Never discharge into sewers, waterways, or soil. Collect waste in appropriate containers and label clearly. Follow local and national regulations for hazardous waste management. Consult with certified waste disposal contractors for proper treatment and destruction. Maintain disposal records for regulatory compliance and environmental protection.
How to transport methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate?
Methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transport purposes. Use appropriate packaging that meets UN specification requirements for Class 9 materials. Ensure proper labeling with hazard diamonds and shipping documentation. Transport vehicles must carry appropriate emergency equipment and trained personnel. Follow specific routing restrictions and notification requirements. Implement spill containment measures during transport to prevent environmental contamination due to its aquatic toxicity.
Is methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate subject to specific regulations?
Methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate is subject to REACH regulation requiring registration for manufacture or import above threshold quantities in the EU. CLP regulation mandates proper classification and labeling as a skin sensitizer and aquatic toxin. The compound is not currently listed as a Substance of Very High Concern (SVHC). Transport regulations under ADR apply for shipment. National chemical inventory requirements may apply depending on jurisdiction. Regular monitoring of regulatory updates ensures continued compliance.
Where to buy methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate in Europe?
Methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate is available through OYSI, a specialized European distributor of chemical products. OYSI provides high-quality chemicals with proper documentation and regulatory compliance support across European markets. As a professional chemical distributor, OYSI ensures appropriate packaging, labeling, and safety data sheets accompany all shipments. Contact OYSI directly for availability, technical specifications, and pricing information. Professional customers can benefit from OYSI's expertise in chemical handling and regulatory requirements.
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Methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate 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.