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CAS 120-48-9

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Benzoic acid, 4-nitro-, butyl ester

Description:
Benzoic acid, 4-nitro-, butyl ester, commonly known as butyl 4-nitrobenzoate, is an organic compound characterized by its ester functional group derived from benzoic acid and butanol. It features a nitro group (-NO2) positioned at the para position relative to the carboxylic acid group on the benzene ring, which influences its reactivity and physical properties. This compound typically appears as a colorless to pale yellow liquid with a characteristic odor. It is relatively soluble in organic solvents but has limited solubility in water due to its hydrophobic butyl group. The presence of the nitro group can enhance the compound's electrophilic character, making it useful in various chemical reactions, including nucleophilic substitutions. Benzoic acid derivatives, such as this ester, are often utilized in the synthesis of pharmaceuticals, agrochemicals, and as intermediates in organic synthesis. Safety data indicates that it should be handled with care, as it may cause irritation to the skin and eyes. Proper storage and handling protocols are essential to ensure safety in laboratory and industrial settings.
Formula:C11H13NO4
InChI:InChI=1S/C11H13NO4/c1-2-3-8-16-11(13)9-4-6-10(7-5-9)12(14)15/h4-7H,2-3,8H2,1H3
InChI key:InChIKey=DVTGVOHTTDVRJF-UHFFFAOYSA-N
SMILES:C(OCCCC)(=O)C1=CC=C(N(=O)=O)C=C1
Synonyms:
  • Butyl p-nitrobenzoate
  • n-Butyl p-nitrobenzoate
  • Benzoic acid, p-nitro-, butyl ester
  • Butyl 4-nitrobenzoate
  • Benzoic acid, 4-nitro-, butyl ester
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