CAS 133391-58-9

1-Chloro-3-nitro-2-(trifluoromethyl)benzene

Description:

1-Chloro-3-nitro-2-(trifluoromethyl)benzene, with the CAS number 133391-58-9, is an aromatic compound characterized by the presence of a chloro group, a nitro group, and a trifluoromethyl group attached to a benzene ring. This compound typically exhibits a pale yellow to light brown appearance and is known for its relatively low solubility in water, while being more soluble in organic solvents. The presence of the trifluoromethyl group imparts unique electronic properties, enhancing its reactivity and making it a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The nitro group contributes to its electrophilic character, while the chloro substituent can participate in nucleophilic substitution reactions. Additionally, this compound may exhibit moderate toxicity and should be handled with care in a controlled laboratory environment. Its chemical behavior and interactions are influenced by the electron-withdrawing effects of the trifluoromethyl and nitro groups, making it an interesting subject for further study in synthetic organic chemistry.

Formula: C₇H₃ClF₃NO₂

InChI: InChI=1S/C7H3ClF3NO2/c8-4-2-1-3-5(12(13)14)6(4)7(9,10)11/h1-3H

InChI key: InChIKey=IWCFMULLAZZURY-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C1=C(N(=O)=O)C=CC=C1Cl

Synonyms:

• 1-Chloro-3-nitro-2-(trifluoromethyl)benzene
• Benzene, 1-chloro-3-nitro-2-(trifluoromethyl)-
• 1-Chloro-3-nitro-2-trifluoromethylbenzene