CAS 1096113-27-7

1-Chloro-2-fluoro-3-methyl-4-nitrobenzene

Description:

1-Chloro-2-fluoro-3-methyl-4-nitrobenzene is an aromatic compound characterized by the presence of a chloro group, a fluoro group, a methyl group, and a nitro group attached to a benzene ring. This compound exhibits a complex structure that influences its chemical reactivity and physical properties. The presence of electronegative halogen atoms (chlorine and fluorine) and the nitro group contributes to its polarity, making it a potential candidate for various chemical reactions, including nucleophilic substitutions and electrophilic aromatic substitutions. The methyl group serves as an electron-donating substituent, which can affect the reactivity of the aromatic ring. Additionally, the compound may exhibit distinct solubility characteristics, typically being more soluble in organic solvents than in water due to its hydrophobic aromatic structure. Its applications may span across fields such as pharmaceuticals, agrochemicals, and materials science, where it can serve as an intermediate in the synthesis of more complex molecules. Safety and handling precautions are essential due to the potential toxicity associated with halogenated and nitro compounds.

Formula: C₇H₅ClFNO₂

InChI: InChI=1S/C7H5ClFNO2/c1-4-6(10(11)12)3-2-5(8)7(4)9/h2-3H,1H3

InChI key: InChIKey=MKTHRBAVGDDNOX-UHFFFAOYSA-N

SMILES: N(=O)(=O)C1=C(C)C(F)=C(Cl)C=C1

Synonyms:

• Benzene, 1-chloro-2-fluoro-3-methyl-4-nitro-
• 1-Chloro-2-fluoro-3-methyl-4-nitrobenzene