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CAS 900254-47-9

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Benzoic acid, 4-nitro-2-(trifluoromethyl)-, methyl ester

Description:
Benzoic acid, 4-nitro-2-(trifluoromethyl)-, methyl ester, identified by its CAS number 900254-47-9, is an organic compound characterized by the presence of a benzoic acid moiety with a nitro group and a trifluoromethyl group at specific positions on the aromatic ring. This compound typically exhibits a white to light yellow crystalline appearance and is soluble in organic solvents such as ethanol and acetone, but has limited solubility in water due to its hydrophobic trifluoromethyl group. The presence of the nitro group contributes to its electron-withdrawing properties, which can influence its reactivity and stability. As an ester, it may undergo hydrolysis in the presence of water or under acidic or basic conditions, reverting to the corresponding acid and alcohol. This compound is of interest in various fields, including pharmaceuticals and agrochemicals, due to its potential biological activity and utility in synthetic applications. Safety data should be consulted for handling and exposure guidelines, as with any chemical substance.
Formula:C9H6F3NO4
InChI:InChI=1S/C9H6F3NO4/c1-17-8(14)6-3-2-5(13(15)16)4-7(6)9(10,11)12/h2-4H,1H3
InChI key:InChIKey=VMDFHCYVCFQUFV-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=C(C(OC)=O)C=CC(N(=O)=O)=C1
Synonyms:
  • 4-nitro-2-trifluoromethylbenzoic acid methyl ester
  • Benzoic acid, 4-nitro-2-(trifluoromethyl)-, methyl ester
  • Methyl 4-nitro-2-(trifluoromethyl)benzoate
  • Methyl 4-nitro-2-trifluoroMethylbenzoate
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