CAS 1321613-02-8

Benzoic acid, 4-bromo-2-chloro-6-fluoro-, methyl ester

Description:

Benzoic acid, 4-bromo-2-chloro-6-fluoro-, methyl ester, identified by the CAS number 1321613-02-8, is an aromatic compound characterized by the presence of a benzoic acid moiety modified with halogen substituents and a methyl ester functional group. This compound features a benzene ring with three substituents: a bromine atom at the para position, a chlorine atom at the ortho position, and a fluorine atom at the meta position relative to the ester group. The methyl ester functional group contributes to its solubility in organic solvents and can influence its reactivity in various chemical reactions. The presence of halogens typically enhances the compound's biological activity and can affect its physical properties, such as melting and boiling points. Additionally, the compound may exhibit interesting pharmacological properties, making it of interest in medicinal chemistry. As with many halogenated compounds, it is essential to consider environmental and health impacts, particularly regarding persistence and bioaccumulation.

Formula: C₈H₅BrClFO₂

InChI: InChI=1S/C8H5BrClFO2/c1-13-8(12)7-5(10)2-4(9)3-6(7)11/h2-3H,1H3

InChI key: InChIKey=MDFGLYHZCDEBLE-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=C(Cl)C=C(Br)C=C1F

Synonyms:

• Benzoic acid, 4-bromo-2-chloro-6-fluoro-, methyl ester
• Methyl 4-bromo-2-chloro-6-fluorobenzoate

Benzoic acid, 4-bromo-2-chloro-6-fluoro-, methyl ester

CAS: 1321613-02-8

Formula: C₈H₅BrClFO₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 267.4795

Ref: IN-DA0010BH

Methyl 4-bromo-2-chloro-6-fluorobenzoate

CAS: 1321613-02-8

Methyl 4-bromo-2-chloro-6-fluorobenzoate

Purity: 98%

Molecular weight: 267.48g/mol

Ref: 54-PC49657

METHYL 4-BROMO-2-CHLORO-6-FLUOROBENZOATE

CAS: 1321613-02-8

Formula: C₈H₅BrClFO₂

Purity: 98%

Color and Shape: Liquid

Molecular weight: 267.48

Ref: 10-F306954