CAS 1138479-19-2

3-Nitro-4′-(trifluoromethyl)-1,1′-biphenyl

Description:

3-Nitro-4′-(trifluoromethyl)-1,1′-biphenyl is an organic compound characterized by its biphenyl structure, which consists of two phenyl rings connected by a single bond. The presence of a nitro group (-NO2) at the 3-position and a trifluoromethyl group (-CF3) at the 4′-position significantly influences its chemical properties and reactivity. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. The trifluoromethyl group enhances the compound's lipophilicity and can affect its electronic properties, making it a subject of interest in various chemical applications, including pharmaceuticals and agrochemicals. Additionally, the nitro group can participate in electrophilic aromatic substitution reactions, making the compound versatile in synthetic chemistry. Safety data should be consulted, as nitro compounds can be hazardous, and appropriate handling and disposal procedures should be followed. Overall, 3-Nitro-4′-(trifluoromethyl)-1,1′-biphenyl is a notable compound in the field of organic chemistry due to its unique functional groups and potential applications.

Formula: C₁₃H₈F₃NO₂

InChI: InChI=1S/C13H8F3NO2/c14-13(15,16)11-6-4-9(5-7-11)10-2-1-3-12(8-10)17(18)19/h1-8H

InChI key: InChIKey=BQRBJVAJHYNPHN-UHFFFAOYSA-N

SMILES: N(=O)(=O)C=1C=C(C=CC1)C2=CC=C(C(F)(F)F)C=C2

Synonyms:

• 1,1′-Biphenyl, 3-nitro-4′-(trifluoromethyl)-
• 3-Nitro-4′-(trifluoromethyl)-1,1′-biphenyl