N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline

C16H12ClF4N3O4

CAS62924-70-3
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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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 highly fluorinated aromatic amine compound with significant environmental persistence and selective biological activity. This complex organofluorine compound belongs to the dinitroaniline class of chemicals, characterized by its unique molecular structure containing multiple halogen substituents including chlorine, fluorine, and a trifluoromethyl group. With a molecular formula of C16H12ClF4N3O4 and molecular weight of 421.73 g/mol, this substance exhibits distinctive physicochemical properties due to its high degree of halogenation and nitro group positioning. The compound presents moderate safety concerns, classified under GHS as a skin and eye irritant (categories 2) and skin sensitizer (category 1). Its environmental profile requires careful consideration, as it carries acute and chronic aquatic toxicity classifications (Aquatic Acute 1, Aquatic Chronic 1), indicating potential persistence and bioaccumulation in aquatic ecosystems. The presence of multiple electron-withdrawing groups, including the dinitro and trifluoromethyl substituents, contributes to its chemical stability and environmental persistence. Industrial applications typically leverage its selective biological activity and chemical stability. The compound finds primary use as an intermediate in pharmaceutical synthesis, particularly in the development of specialized pharmaceutical compounds. Additionally, it serves as a key building block in agrochemical formulations, where its structural similarity to other halogenated compounds like 4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine makes it valuable for targeted biological applications. The compound also functions as a specialty chemical reagent in advanced organic synthesis processes requiring precise molecular modifications. OYSI maintains reliable supply chains for this specialized chemical compound, ensuring consistent availability for qualified industrial customers across European markets.

Safety & Classification

Warning
Classification:

Skin Irrit. 2; Eye Irrit. 2; Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H315

Causes skin irritation.

H319

Causes serious eye irritation.

H317

May cause an allergic skin reaction.

H400

Very toxic to aquatic life.

H410

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

Skin Contact

Irritant

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:

Eye Contact

Irritant

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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameFlumetralin (ISO)
Marine PollutantNo

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. This chemical features a molecular formula of C16H12ClF4N3O4 and a molecular weight of 421.73 g/mol. It contains multiple functional groups including chloro, fluoro, dinitro, and trifluoromethyl substituents, making it a highly specialized chemical intermediate with specific industrial applications.

What are the physicochemical properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline?

This compound is a solid organic substance with multiple halogen and nitro substituents that influence its physical properties. The presence of fluorine, chlorine, and trifluoromethyl groups typically confers chemical stability and low volatility. The dinitro groups contribute to its density and may impart coloration. Specific properties like melting point, boiling point, and solubility depend on the molecular structure and intermolecular interactions between the various functional groups.

What is N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline used for?

This compound is primarily used as a chemical intermediate in organic synthesis and pharmaceutical manufacturing. Its complex structure with multiple functional groups makes it valuable for developing specialized compounds in agrochemical, pharmaceutical, or materials science applications. The specific combination of halogen and nitro substituents provides unique reactivity patterns that chemists can exploit for targeted synthetic transformations in research and industrial 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 due to its skin and eye irritation properties and sensitization potential. Wear chemical-resistant gloves, safety goggles, and protective clothing when handling this substance. Work in well-ventilated areas or use fume hoods to prevent inhalation. Avoid skin and eye contact, and wash hands thoroughly after handling. The GHS07 pictogram indicates health hazards requiring careful attention to personal protection measures.

How to store N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline correctly?

Store this compound in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly closed and properly labeled according to GHS requirements. Due to its aquatic toxicity (GHS09 pictogram), ensure storage areas have appropriate containment measures to prevent environmental release. Maintain storage temperatures within recommended ranges and segregate from oxidizing agents, strong bases, and other incompatible chemicals according to standard chemical storage protocols.

What to do in case of contact with N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline?

In case of skin contact, immediately remove contaminated clothing and wash affected areas with soap and water for at least 15 minutes. For eye contact, flush immediately with clean water for 15-20 minutes while holding eyelids open. If inhaled, move to fresh air immediately. Due to its sensitization potential, monitor for allergic reactions. Seek medical attention if irritation persists or if significant exposure occurs. Never induce vomiting if accidentally ingested.

How to dispose of N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline appropriately?

Disposal must comply with local, national, and international environmental regulations due to its aquatic toxicity classification. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Do not discharge to sewers, waterways, or soil. Incineration at authorized facilities may be appropriate for this organic compound. Ensure all waste containers are properly labeled and documented according to waste tracking requirements in your jurisdiction.

How to transport N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline?

This substance is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transport purposes. Use appropriate UN-specification packaging and ensure proper labeling with ADR Class 9 hazard labels. Transport documents must include the correct shipping name and UN number. Drivers require appropriate ADR training for Class 9 materials. Vehicles should carry appropriate emergency equipment and spill response materials during transport.

Is N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline subject to specific regulations?

This compound is subject to standard REACH registration requirements for chemical substances in the European Union. It must be classified and labeled according to CLP regulation, displaying GHS07 and GHS09 pictograms with appropriate hazard statements for skin/eye irritation, sensitization, and aquatic toxicity. While not currently listed as a SVHC substance, users must comply with standard chemical safety regulations and maintain appropriate safety data sheets.

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 this specialized chemical compound. As an established chemical distributor, OYSI can provide this substance with appropriate documentation, safety data sheets, and regulatory compliance for European customers. Contact OYSI directly to inquire about availability, packaging options, and delivery throughout Europe. Their technical expertise ensures proper handling and documentation for this regulated chemical substance.

Services for N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline

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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.

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Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.