N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline
C16H12ClF4N3O4
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Identification
- CAS Number
- 62924-70-3
- UN Number
- 3077
- Index Number
- 612-144-00-7
- PubChem CID
- 62210
Physical-chemical properties
- Molecular Formula
- C16H12ClF4N3O4
- Molar Mass
- 421.73 g/mol
- IUPAC Name
- N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline
Chemical Identifiers
- InChI
- InChI=1S/C16H12ClF4N3O4/c1-2-22(8-10-11(17)4-3-5-12(10)18)15-13(23(25)26)6-9(16(19,20)21)7-14(15)24(27)28/h3-7H,2,8H2,1H3
- InChI Key
- PWNAWOCHVWERAR-UHFFFAOYSA-N
Overview
N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline (CAS 62924-70-3) is a halogenated aromatic compound featuring multiple electron-withdrawing substituents including nitro and trifluoromethyl groups. This complex organic molecule represents a specialized chemical intermediate with significant industrial relevance in pharmaceutical and agrochemical synthesis. With its molecular formula C16H12ClF4N3O4 and molecular weight of 421.73 g/mol, this compound exhibits unique reactivity patterns due to the presence of both electron-withdrawing nitro groups and halogen substituents on the aromatic rings. The combination of chloro, fluoro, and trifluoromethyl functionalities provides distinct electronic and steric properties that make it valuable for specific synthetic applications. From a safety perspective, this substance requires careful handling protocols as it presents moderate hazard classifications including skin and eye irritation potential, skin sensitization properties, and significant aquatic toxicity concerns. The compound falls under GHS07 and GHS09 pictogram classifications with a "Warning" signal word, indicating the need for appropriate personal protective equipment and environmental containment measures during handling and storage. The primary industrial applications of this compound include its use as an intermediate in pharmaceutical synthesis, particularly in the development of compounds requiring complex aromatic substitution patterns. It also finds application in specialty agrochemical formulations where its unique electronic properties contribute to biological activity. Similar to other halogenated intermediates like 4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine, this compound serves specialized niche markets requiring precise chemical functionality. OYSI maintains reliable supply channels for this specialized chemical intermediate, ensuring consistent availability for European industrial customers requiring high-quality technical-grade material.
Safety & Classification
Skin Irrit. 2; Eye Irrit. 2; 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
Eye Contact
Measures if substance gets into the eyes
First Aid Actions
- +P305IF IN EYES:
- +P351Rinse cautiously with water for several minutes.
- +P338Remove contact lenses, if present and easy to do. Continue rinsing.
- +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 | Flumetralin (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline?
N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline is a complex organic compound with CAS number 62924-70-3 and molecular formula C16H12ClF4N3O4. This chemical substance has a molecular weight of 421.73 g/mol and features multiple functional groups including chloro, fluoro, nitro, and trifluoromethyl substituents. It is classified as hazardous with skin and eye irritation properties, skin sensitization potential, and aquatic toxicity.
What are the physicochemical properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline?
N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline is an organic solid with a molecular weight of 421.73 g/mol. The compound contains highly electronegative elements (fluorine, chlorine) and electron-withdrawing groups (nitro, trifluoromethyl) which influence its chemical reactivity and physical properties. Its complex aromatic structure with multiple substituents affects its solubility characteristics and stability under various conditions.
What is N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline used for?
N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline is primarily used as a chemical intermediate in pharmaceutical and agrochemical synthesis. Its complex structure with multiple functional groups makes it valuable for developing specialized compounds in research and development applications. The compound may serve as a building block for creating more complex molecules with specific biological or chemical properties in industrial manufacturing processes.
How to handle N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline safely?
Safe handling requires appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing to prevent skin and eye contact. Work in well-ventilated areas or under fume extraction systems to minimize inhalation exposure. Avoid direct contact as the substance causes skin irritation, eye irritation, and may cause allergic skin reactions. Use proper handling techniques and ensure all personnel are trained in chemical safety protocols before use.
How to store N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline correctly?
Proper storage requires keeping the substance in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Store in original containers with tight-fitting lids to prevent contamination and moisture absorption. Keep away from oxidizing agents and strong bases due to the presence of nitro groups. Implement appropriate containment measures to prevent environmental release, given its aquatic toxicity classification.
What to do in case of contact with N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline?
Immediate first aid involves removing contaminated clothing and rinsing affected skin with plenty of water for at least 15 minutes. For eye contact, flush immediately with clean water for at least 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. Do not induce vomiting if ingested. Seek medical attention promptly, especially for eye contact or if skin sensitization symptoms develop. Keep safety data sheet available for medical personnel.
How to dispose of N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline appropriately?
Disposal must be conducted through authorized hazardous waste disposal facilities in accordance with local, national, and EU regulations. The substance cannot be disposed of through regular waste streams due to its hazardous classification and environmental toxicity. Contact licensed waste management companies for proper collection and disposal. Prevent release to water systems given its aquatic toxicity classification (Aquatic Acute 1, Aquatic Chronic 1).
How to transport N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline?
Transportation is regulated under ADR classification as Class 9 (Miscellaneous Dangerous Substances), Packing Group III. Proper shipping documentation, labeling with GHS07 and GHS09 pictograms, and appropriate packaging meeting UN specifications are required. Carriers must be authorized for hazardous materials transport. The substance requires proper containment to prevent environmental release during transit and must comply with all applicable dangerous goods regulations.
Is N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline subject to specific regulations?
The substance is subject to REACH and CLP regulations within the European Union, requiring proper registration, classification, and safety data sheet provision. It carries Warning signal word with mandatory GHS07 and GHS09 pictograms. The compound is not currently listed as a Substance of Very High Concern (SVHC). Users must comply with occupational health and safety regulations and environmental protection measures due to its hazardous properties and aquatic toxicity.
Where to buy N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline in Europe?
OYSI serves as a reliable European distributor for N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline, providing quality chemical products to industrial and research customers across Europe. As an established chemical distributor, OYSI ensures proper handling, documentation, and regulatory compliance for hazardous substances. Contact OYSI directly for availability, technical specifications, and delivery options tailored to your specific requirements and location within Europe.
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ADR Consulting for N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline
N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline 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.