CAS 1160573-93-2

1-Bromo-5-(1,1-dimethylethyl)-2-iodo-3-nitrobenzene

Description:

1-Bromo-5-(1,1-dimethylethyl)-2-iodo-3-nitrobenzene is an organic compound characterized by the presence of both bromine and iodine halogens, as well as a nitro group, attached to a benzene ring. The compound features a tert-butyl group (1,1-dimethylethyl) at the 5-position, which contributes to its steric bulk and hydrophobic character. The nitro group at the 3-position introduces significant electron-withdrawing properties, influencing the compound's reactivity and polarity. The presence of both bromine and iodine makes it a subject of interest in synthetic organic chemistry, particularly in reactions involving nucleophilic substitutions or cross-coupling reactions. The compound's molecular structure suggests potential applications in pharmaceuticals, agrochemicals, or as intermediates in organic synthesis. Its physical properties, such as solubility and melting point, would typically be influenced by the substituents on the benzene ring, as well as the overall molecular weight. Safety and handling considerations should be taken into account due to the presence of halogens and the nitro group, which can pose health risks.

Formula: C₁₀H₁₁BrINO₂

InChI: InChI=1S/C10H11BrINO2/c1-10(2,3)6-4-7(11)9(12)8(5-6)13(14)15/h4-5H,1-3H3

InChI key: InChIKey=WKZGIMGZZYYXBG-UHFFFAOYSA-N

SMILES: N(=O)(=O)C1=CC(C(C)(C)C)=CC(Br)=C1I

Synonyms:

• 1-Bromo-5-(1,1-dimethylethyl)-2-iodo-3-nitrobenzene
• Benzene, 1-bromo-5-(1,1-dimethylethyl)-2-iodo-3-nitro-