2-Bromo-5-fluoro-4-methylbenzoic acid
CAS No.:
1003709-54-3
M. Wt:
233.03400
M. Fa:
C8H6BrFO2
InChI Key:
WFPYJWBPQCXYCJ-UHFFFAOYSA-N
Appearance:
White Solid
Names and Identifiers of 2-Bromo-5-fluoro-4-methylbenzoic acid
CAS Number |
1003709-54-3 |
|---|---|
MDL Number |
MFCD09263436 |
IUPAC Name |
2-bromo-5-fluoro-4-methylbenzoic acid |
InChI |
InChI=1S/C8H6BrFO2/c1-4-2-6(9)5(8(11)12)3-7(4)10/h2-3H,1H3,(H,11,12) |
InChIKey |
WFPYJWBPQCXYCJ-UHFFFAOYSA-N |
Canonical SMILES |
CC1=CC(=C(C=C1F)C(=O)O)Br |
UNSPSC Code |
12352100 |
Physical and chemical properties of 2-Bromo-5-fluoro-4-methylbenzoic acid
Acidity coefficient |
2.68±0.10(Predicted) |
|---|---|
Boiling Point |
314.7±42.0°C at 760 mmHg |
Density |
1.680±0.06 g/cm3(Predicted) |
Exact Mass |
231.95400 |
LogP |
2.59480 |
Molecular Formula |
C8H6BrFO2 |
Molecular Weight |
233.03400 |
PSA |
37.30000 |
Storage condition |
Sealed in dry,Room Temperature |
Safety Information of 2-Bromo-5-fluoro-4-methylbenzoic acid
Applications of 2-Bromo-5-fluoro-4-methylbenzoic acid
2-Bromo-5-fluoro-4-methylbenzoic acid has several applications:
- Pharmaceuticals: It serves as an intermediate in the synthesis of various drugs due to its unique structural properties.
- Agrochemicals: The compound may be used in developing herbicides or pesticides that target specific plant pathways.
- Chemical Research: It is utilized in research settings for synthesizing new compounds with potential therapeutic effects.
Interaction Studies of 2-Bromo-5-fluoro-4-methylbenzoic acid
Interaction studies involving 2-Bromo-5-fluoro-4-methylbenzoic acid focus on its reactivity with biological macromolecules such as proteins and nucleic acids. Investigations into its binding affinities and mechanisms of action are crucial for understanding its potential therapeutic roles. Preliminary data suggest that it may interact with specific enzyme targets, which could lead to inhibition or modulation of biological processes.
Physical sample testing spectrum (NMR) of 2-Bromo-5-fluoro-4-methylbenzoic acid
