N-(2-Chloro-6-fluorobenzyl)-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline | CAS No. 62924-70-3

N-(2-Chloro-6-fluorobenzyl)-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline

Basic Information

CAS Number

62924-70-3

Molecular Formula

C16H12ClF4N3O4

Molecular Weight

421.73 g/mol

AD

Basic Physical Properties

Melting Point

>100 °C

Boiling Point

223.5°C (rough estimate)

Density

1.5019 (estimate)

Flash Point

>100 °C

CCN(CC1=C(F)C=CC=C1Cl)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O

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

InChIKey

PWNAWOCHVWERAR-UHFFFAOYSA-N

LogP

6.38720

Complexity

548

Safety Information

View Safety Information

GHS Hazard Pictograms

H315H315
H317H317
H319H319
H410H410

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H317 May cause an allergic skin reaction
Sensitization, Skin
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

  • N-(2-Chloro-6-fluorobenzyl)-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline
  • Flumetralin E.C.
  • FLUMETRALIN
  • FLUMETRALIN 0.95
  • Flumetralin Solution
  • 2-chloro-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-ethyl-6-fluorobenzenemethanamine
  • 6-fluoro
  • CHROMAFIL
  • N-(2-chloro-6-fluorobenzyl)-N-ethyl-α,α,α-trifluoro-2,6-dinitro-p-toluidine
  • N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline
  • premier
  • Prime
  • Primier
  • 2-Chloro-6-fluoro-N-(2,6-dinitro-4-(trifluoromethyl)phenyl)-N-ethylbenzenemethanamine
  • N-[(2-Chloro-6-fluorophenyl)methyl]-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline

MDL Number

MFCD00078695

Customs Code

2921430038

FAQ

What are the physical and chemical properties of N-(2-Chloro-6-fluorobenzyl)-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline (CAS: 62924-70-3)?

N-(2-Chloro-6-fluorobenzyl)-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline (CAS: 62924-70-3) is a crystalline solid with a molecular weight of approximately 467.05 g/mol. It has low solubility in water but is more soluble in organic solvents. This compound is highly reactive due to the presence of nitro and trifluoromethyl groups. It is not typically used in aqueous solutions and requires caution during handling due to its strong reactivity.

How is N-(2-Chloro-6-fluorobenzyl)-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline (CAS: 62924-70-3) typically synthesized?

N-(2-Chloro-6-fluorobenzyl)-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline (CAS: 62924-70-3) is synthesized through a multi-step process involving the aromatic substitution of chlorobenzene with 2-fluorobenzyl chloride, followed by nitration and trifluoromethylation. Commonly, this process uses concentrated sulfuric acid for nitration and potassium trifluoromethanesulfonate for trifluoromethylation. The yield and selectivity are influenced by reaction conditions and the choice of catalysts.

What industries use N-(2-Chloro-6-fluorobenzyl)-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline (CAS: 62924-70-3)?

N-(2-Chloro-6-fluorobenzyl)-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline (CAS: 62924-70-3) is used in the pharmaceutical industry for the synthesis of certain drug intermediates. It also finds applications in the polymer industry as a stabilizer and in the production of advanced materials. Additionally, it is utilized in the development of sensors and semiconductors due to its unique electronic properties.

What precautions should be taken when handling N-(2-Chloro-6-fluorobenzyl)-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline (CAS: 62924-70-3)?

When handling N-(2-Chloro-6-fluorobenzyl)-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline (CAS: 62924-70-3), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using appropriate methods, and the material safety data sheet (MSDS) should be consulted for specific handling instructions. This compound is highly reactive and should be stored in a cool, dry place away from heat sources and oxidizers.

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