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 organofluorine compound featuring trifluoromethyl functionality and oxime ester structural elements. This specialized chemical compound belongs to the class of substituted acetate esters with distinctive methoxyimino and trifluoromethylphenyl groups. With a molecular formula of C20H19F3N2O4 and molecular weight of 408.4 g/mol, it represents a sophisticated synthetic intermediate characterized by multiple functional groups including an oxime ether linkage and a trifluoromethyl-substituted aromatic ring. The presence of fluorine atoms significantly influences its chemical properties, enhancing stability and modifying biological activity profiles. From a safety perspective, this compound requires careful handling due to its classification as a skin sensitizer (Skin Sens. 1) and potential lactation hazard (Lact.). It demonstrates significant aquatic toxicity, classified as Aquatic Acute 1 and Aquatic Chronic 1, necessitating appropriate environmental protection measures during use and disposal. The substance carries GHS07 and GHS09 pictograms with a Warning signal word, indicating moderate health hazards and environmental concerns. Transportation falls under ADR Class 9 for miscellaneous dangerous substances. Industrial applications typically include use as a pharmaceutical intermediate in active ingredient synthesis, particularly in compounds requiring trifluoromethyl incorporation for enhanced bioactivity. It also serves in specialty chemical manufacturing where its unique structural features contribute to desired molecular properties. Unlike simpler compounds such as triphenyl phosphite, this complex molecule offers specific reactivity patterns valuable in advanced synthetic chemistry applications. OYSI provides reliable access to this specialized compound for European industrial customers requiring consistent quality and regulatory compliance.
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 the molecular formula C20H19F3N2O4 and molecular weight of 408.4 g/mol. This chemical substance belongs to the class of methoxyimino acetates and contains trifluoromethyl functional groups. It is classified under CAS number 141517-21-7 and is considered hazardous to aquatic environments with skin sensitization properties.
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 has a molecular weight of 408.4 g/mol and contains fluorine atoms that influence its chemical behavior. The compound features methoxyimino and trifluoromethyl groups that affect its solubility and stability. As an organic ester with complex aromatic structures, it likely exists as a solid or viscous liquid at room temperature. Specific physical properties such as melting point, boiling point, and exact solubility data require consultation of detailed technical datasheets.
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 an intermediate in pharmaceutical synthesis and fine chemical manufacturing. Its complex structure containing methoxyimino and trifluoromethyl groups makes it valuable for developing agrochemicals and pharmaceutical compounds. The substance may also serve as a building block in organic synthesis for creating more complex molecules. Due to its specialized nature, it is typically used in controlled laboratory and industrial environments by trained professionals.
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. Always wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume hoods to avoid inhalation. Avoid direct skin contact and prevent release into the environment due to its aquatic toxicity. Handle containers carefully to prevent spills and ensure proper grounding when transferring the material to prevent static discharge.
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 tightly closed containers in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Keep away from incompatible materials such as strong oxidizers, acids, and bases. Store in original labeled containers made of compatible materials. Ensure storage areas have appropriate spill containment measures to prevent environmental release. Maintain storage temperature according to supplier specifications and implement proper inventory rotation using first-in-first-out principles.
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 if contact occurs 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, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. In case of 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 if large amounts were involved in the exposure.
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 as hazardous waste due to its environmental and health hazards. Contact licensed hazardous waste disposal companies that can handle chemical waste according to local and EU regulations. Never discharge into drains, sewers, or the environment due to its aquatic toxicity. Empty containers should also be treated as hazardous waste. Follow all applicable waste codes and documentation requirements under the European Waste Catalogue and national waste regulations.
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. Transport must comply with ADR regulations using appropriate UN-specification packaging. Ensure proper labeling with Class 9 hazard labels and correct shipping documentation. Vehicles must carry appropriate emergency equipment and drivers need ADR training certification. Prevent packages from damage during transport and ensure segregation from incompatible materials. Follow specific loading and handling procedures for Class 9 dangerous goods.
Is methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate subject to particular regulations?
Methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate is subject to EU CLP regulation with Warning signal word and GHS07/GHS09 pictograms. It is classified as skin sensitizer and acutely/chronically toxic to aquatic environments. The substance is not currently listed as SVHC under REACH regulation. Companies must comply with REACH registration requirements if manufacturing or importing above threshold quantities. Workplace exposure limits and occupational health regulations apply. Environmental discharge restrictions apply due to aquatic toxicity classification.
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 technical chemicals and intermediates. OYSI provides this compound to pharmaceutical, chemical manufacturing, and research institutions across Europe with proper regulatory compliance and documentation. As a specialized fine chemical, it requires sourcing from qualified suppliers who can ensure product quality, safety data sheets, and regulatory compliance. Contact OYSI directly for availability, specifications, and technical support for your specific application 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.