4-Amino-2-fluoro-5-methoxybenzoic acid
Names and Identifiers of 4-Amino-2-fluoro-5-methoxybenzoic acid
CAS Number |
1001346-91-3 |
|---|---|
EC Number |
810-322-0 |
MDL Number |
MFCD11849929 |
IUPAC Name |
4-amino-2-fluoro-5-methoxybenzoic acid |
InChI |
InChI=1S/C8H8FNO3/c1-13-7-2-4(8(11)12)5(9)3-6(7)10/h2-3H,10H2,1H3,(H,11,12) |
InChIKey |
AOFWIQANMFITAG-UHFFFAOYSA-N |
Canonical SMILES |
COC1=C(C=C(C(=C1)C(=O)O)F)N |
UNSPSC Code |
12352100 |
Physical and chemical properties of 4-Amino-2-fluoro-5-methoxybenzoic acid
Boiling Point |
368.9±42.0 °C at 760 mmHg |
|---|---|
Density |
1.4±0.1 g/cm3 |
Exact Mass |
185.048828 |
Flash Point |
176.9±27.9 °C |
Index of Refraction |
1.580 |
LogP |
1.63 |
Molecular Formula |
C8H8FNO3 |
Molecular Weight |
185.152 |
PSA |
72.55000 |
Storage condition |
Keep in dark place,Inert atmosphere,Room temperature |
Vapour Pressure |
0.0±0.9 mmHg at 25°C |
Safety Information of 4-Amino-2-fluoro-5-methoxybenzoic acid
Applications of 4-Amino-2-fluoro-5-methoxybenzoic acid
4-Amino-2-fluoro-5-methoxybenzoic acid has several potential applications:
- Pharmaceutical Development: Its biological activity makes it a candidate for drug development, particularly in treating inflammatory diseases or infections.
- Chemical Intermediates: It can serve as an intermediate in synthesizing more complex organic compounds.
- Research Reagent: Used in studies exploring structure-activity relationships in medicinal chemistry.
Interaction Studies of 4-Amino-2-fluoro-5-methoxybenzoic acid
Studies on the interactions of 4-Amino-2-fluoro-5-methoxybenzoic acid with various biological systems are crucial for understanding its potential therapeutic effects. Preliminary data suggest that it may interact with specific enzymes or receptors involved in inflammation and microbial resistance. Further investigation is needed to elucidate these interactions fully and determine their implications for drug design.
Biological Activity of 4-Amino-2-fluoro-5-methoxybenzoic acid
Research indicates that 4-Amino-2-fluoro-5-methoxybenzoic acid exhibits various biological activities. It has shown potential as an anti-inflammatory agent and may possess antimicrobial properties. The presence of both the amino and methoxy groups enhances its interaction with biological targets, making it a candidate for further pharmacological studies.
Physical sample testing spectrum (NMR) of 4-Amino-2-fluoro-5-methoxybenzoic acid
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