4-Methoxy-2,3,5-trifluorobenzoic acid
Names and Identifiers of 4-Methoxy-2,3,5-trifluorobenzoic acid
CAS Number |
1003709-67-8 |
|---|---|
MDL Number |
MFCD06797838 |
IUPAC Name |
2,3,5-trifluoro-4-methoxybenzoic acid |
InChI |
InChI=1S/C8H5F3O3/c1-14-7-4(9)2-3(8(12)13)5(10)6(7)11/h2H,1H3,(H,12,13) |
InChIKey |
SGQBBRRGMRJQPE-UHFFFAOYSA-N |
Canonical SMILES |
COC1=C(C=C(C(=C1F)F)C(=O)O)F |
UNSPSC Code |
12352100 |
Physical and chemical properties of 4-Methoxy-2,3,5-trifluorobenzoic acid
Acidity coefficient |
2.86±0.10(Predicted) |
|---|---|
Boiling Point |
267.3±35.0 °C at 760 mmHg |
Density |
1.5±0.1 g/cm3 |
Exact Mass |
206.019073 |
Flash Point |
115.4±25.9 °C |
Index of Refraction |
1.487 |
LogP |
2.42 |
Molecular Formula |
C8H5F3O3 |
Molecular Weight |
206.119 |
PSA |
46.53000 |
Storage condition |
2-8°C |
Vapour Pressure |
0.0±0.6 mmHg at 25°C |
Safety Information of 4-Methoxy-2,3,5-trifluorobenzoic acid
Applications of 4-Methoxy-2,3,5-trifluorobenzoic acid
4-Methoxy-2,3,5-trifluorobenzoic acid finds applications in various fields:
- Pharmaceuticals: As a building block for drug development due to its biological activity.
- Agriculture: Potential use in agrochemicals as herbicides or fungicides.
- Material Science: In the formulation of polymers or coatings that require specific chemical properties.
Interaction Studies of 4-Methoxy-2,3,5-trifluorobenzoic acid
Interaction studies involving 4-Methoxy-2,3,5-trifluorobenzoic acid have focused on its behavior in biochemical systems. Research indicates that this compound can interact with enzymes and receptors, influencing metabolic pathways. Such studies are crucial for understanding its pharmacokinetics and potential therapeutic effects.
Biological Activity of 4-Methoxy-2,3,5-trifluorobenzoic acid
4-Methoxy-2,3,5-trifluorobenzoic acid has attracted attention for its potential biological activities. Studies suggest that compounds with similar structures exhibit anti-inflammatory and antimicrobial properties. The trifluoromethyl group enhances lipophilicity, potentially improving membrane permeability and bioactivity. Additionally, some derivatives have shown promise in inhibiting specific enzymes or biological pathways relevant in disease models.
Physical sample testing spectrum (NMR) of 4-Methoxy-2,3,5-trifluorobenzoic acid
