CAS 72522-42-0

(αS)-3-Nitro-α-(trifluoromethyl)benzenemethanol

Description:

(αS)-3-Nitro-α-(trifluoromethyl)benzenemethanol, with the CAS number 72522-42-0, is a chemical compound characterized by its unique functional groups and structural features. It contains a nitro group (-NO2) and a trifluoromethyl group (-CF3) attached to a benzene ring, which significantly influence its chemical reactivity and physical properties. The presence of the hydroxymethyl group (-CH2OH) indicates that it is an alcohol, which can participate in hydrogen bonding, affecting its solubility in polar solvents. The trifluoromethyl group contributes to the compound's lipophilicity and can enhance its biological activity. This compound may exhibit interesting properties such as potential antimicrobial or herbicidal activity due to the presence of the nitro group, which is often associated with bioactive compounds. Additionally, the stereochemistry indicated by the (αS) designation suggests that the compound has specific spatial arrangements that could influence its interactions in biological systems. Overall, this compound's unique combination of functional groups makes it a subject of interest in various fields, including medicinal chemistry and materials science.

Formula: C₈H₆F₃NO₃

InChI: InChI=1S/C8H6F3NO3/c9-8(10,11)7(13)5-2-1-3-6(4-5)12(14)15/h1-4,7,13H/t7-/m0/s1

InChI key: InChIKey=BCYCXBDVLORUCU-ZETCQYMHSA-N

SMILES: [C@H](C(F)(F)F)(O)C1=CC(N(=O)=O)=CC=C1

Synonyms:

• (1S)-2,2,2-Trifluoro-1-(3-nitrophenyl)ethan-1-ol
• (S)-2,2,2-Trifluoro-1-(3-nitrophenyl)ethanol
• (αS)-3-Nitro-α-(trifluoromethyl)benzenemethanol
• Benzenemethanol, 3-nitro-α-(trifluoromethyl)-, (S)-
• Benzenemethanol,3-nitro-a-(trifluoromethyl)-, (S)- (9CI)
• Benzenemethanol, 3-nitro-α-(trifluoromethyl)-, (αS)-