CAS 1246213-42-2

2-Bromo-4-(1,1-dimethylethyl)-5-nitrophenol

Description:

2-Bromo-4-(1,1-dimethylethyl)-5-nitrophenol is an organic compound characterized by its complex structure, which includes a bromine atom, a nitro group, and a tert-butyl substituent on a phenolic ring. This compound typically appears as a solid at room temperature and is soluble in organic solvents. The presence of the bromine and nitro groups contributes to its reactivity, making it useful in various chemical syntheses and applications, particularly in the field of pharmaceuticals and agrochemicals. The tert-butyl group enhances its lipophilicity, which can influence its biological activity and interaction with other molecules. Additionally, the compound may exhibit specific optical properties due to the arrangement of its substituents, which can be relevant in studies of molecular interactions. Safety data should be consulted for handling, as halogenated compounds can pose environmental and health risks. Overall, 2-Bromo-4-(1,1-dimethylethyl)-5-nitrophenol is a notable compound in organic chemistry with diverse applications.

Formula: C₁₀H₁₂BrNO₃

InChI: InChI=1S/C10H12BrNO3/c1-10(2,3)6-4-7(11)9(13)5-8(6)12(14)15/h4-5,13H,1-3H3

InChI key: InChIKey=XRWRQOLFLQDWOZ-UHFFFAOYSA-N

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

Synonyms:

• 2-Bromo-4-(1,1-dimethylethyl)-5-nitrophenol
• 2-Bromo-4-tert-butyl-5-nitro-phenol
• 2-Bromo-4-tert-butyl-5-nitrophenol
• Phenol, 2-bromo-4-(1,1-dimethylethyl)-5-nitro-