CAS 1256260-39-5

Benzoic acid, 2-chloro-3-fluoro-5-nitro-, methyl ester

Description:

Benzoic acid, 2-chloro-3-fluoro-5-nitro-, methyl ester, identified by its CAS number 1256260-39-5, is an organic compound characterized by the presence of a benzoic acid core modified with various functional groups. This compound features a methyl ester group, which enhances its solubility in organic solvents and may influence its reactivity. The presence of a chloro group, a fluoro group, and a nitro group on the aromatic ring contributes to its unique chemical properties, including potential electron-withdrawing effects that can affect acidity and reactivity. The nitro group is known for its strong electron-withdrawing nature, which can enhance the compound's electrophilicity. Additionally, the chloro and fluoro substituents can impact the compound's physical properties, such as boiling and melting points, as well as its biological activity. Overall, this compound may have applications in pharmaceuticals, agrochemicals, or as an intermediate in organic synthesis, although specific applications would depend on further research into its properties and behavior in various chemical environments.

Formula: C₈H₅ClFNO₄

InChI: InChI=1S/C8H5ClFNO4/c1-15-8(12)5-2-4(11(13)14)3-6(10)7(5)9/h2-3H,1H3

InChI key: InChIKey=DJPLMIZXZBMLBL-UHFFFAOYSA-N

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

Synonyms:

• Benzoic acid, 2-chloro-3-fluoro-5-nitro-, methyl ester
• Methyl 2-chloro-3-fluoro-5-nitrobenzoate

Methyl 2-chloro-3-fluoro-5-nitrobenzoate

CAS: 1256260-39-5

Versatile small molecule scaffold

Formula: C₈H₅ClFNO₄

Purity: Min. 95%

Molecular weight: 233.58 g/mol

Ref: 3D-GAC26039