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CAS 13544-05-3

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Methyl α-cyano-2-nitro-4-(trifluoromethyl)benzeneacetate

Description:
Methyl α-cyano-2-nitro-4-(trifluoromethyl)benzeneacetate, with the CAS number 13544-05-3, is an organic compound characterized by its complex structure, which includes a cyano group, a nitro group, and a trifluoromethyl group attached to a benzene ring. This compound typically appears as a crystalline solid and is known for its relatively low solubility in water, while being more soluble in organic solvents. The presence of the trifluoromethyl group imparts unique electronic properties, enhancing its reactivity and making it a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The nitro group contributes to its potential as a nitrating agent, while the cyano group can participate in various nucleophilic reactions. Due to its functional groups, this compound may exhibit biological activity, although specific biological properties would require further investigation. Safety data should be consulted, as compounds with such functional groups can pose health hazards, including toxicity and environmental concerns.
Formula:C11H7F3N2O4
InChI:InChI=1S/C11H7F3N2O4/c1-20-10(17)8(5-15)7-3-2-6(11(12,13)14)4-9(7)16(18)19/h2-4,8H,1H3
InChI key:InChIKey=HDRIGUQRECFCAK-UHFFFAOYSA-N
SMILES:C(C(OC)=O)(C#N)C1=C(N(=O)=O)C=C(C(F)(F)F)C=C1
Synonyms:
  • Acetic acid, cyano(α,α,α-trifluoro-2-nitro-p-tolyl)-, methyl ester
  • Benzeneacetic acid, α-cyano-2-nitro-4-(trifluoromethyl)-, methyl ester
  • Methyl α-cyano-2-nitro-4-(trifluoromethyl)benzeneacetate
  • Methylcyanonitrotrifluoromethylphenylacetate
  • [2-Nitro-4-(Trifluoromethyl)Phenyl]Acetonitrile
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