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CAS 4074-25-3

:

1,3,5-Tris(1,1-dimethylethyl)-2-nitrobenzene

Description:
1,3,5-Tris(1,1-dimethylethyl)-2-nitrobenzene, with the CAS number 4074-25-3, is an organic compound characterized by its aromatic structure and the presence of both nitro and tert-butyl substituents. This compound features a nitro group (-NO2) attached to a benzene ring, which is further substituted at the 1, 3, and 5 positions by three tert-butyl groups (1,1-dimethylethyl groups). The presence of these bulky tert-butyl groups contributes to its hydrophobic nature and steric hindrance, which can influence its reactivity and interactions with other molecules. The nitro group introduces polarity, making the compound potentially useful in various chemical applications, including as a precursor in organic synthesis or as a stabilizer in certain formulations. Additionally, the compound's physical properties, such as melting point, boiling point, and solubility, are influenced by its molecular structure and substituents. Safety and handling precautions should be observed due to the potential hazards associated with nitro compounds.
Formula:C18H29NO2
InChI:InChI=1S/C18H29NO2/c1-16(2,3)12-10-13(17(4,5)6)15(19(20)21)14(11-12)18(7,8)9/h10-11H,1-9H3
InChI key:InChIKey=IMDZOFHRUMJNQR-UHFFFAOYSA-N
SMILES:N(=O)(=O)C1=C(C(C)(C)C)C=C(C(C)(C)C)C=C1C(C)(C)C
Synonyms:
  • 1,3,5-Tris(1,1-dimethylethyl)-2-nitrobenzene
  • 1,3,5-Tritert-butyl-2-nitrobenzene
  • 2,4,6-Tri-Tert-Butylnitrobenzene
  • 2,4,6-Tri-tert-butyl-1-nitrobenzene
  • Benzene, 1,3,5-tri-tert-butyl-2-nitro-
  • Benzene, 1,3,5-tris(1,1-dimethylethyl)-2-nitro-
  • 1,3,5-Tri-tert-butyl-2-nitrobenzene
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