2-Amino-5-cyanobenzoic acid
Names and Identifiers of 2-Amino-5-cyanobenzoic acid
CAS Number |
99767-45-0 |
|---|---|
EC Number |
887-968-5 |
MDL Number |
MFCD20485816 |
IUPAC Name |
2-amino-5-cyanobenzoic acid |
InChI |
InChI=1S/C8H6N2O2/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-3H,10H2,(H,11,12) |
InChIKey |
HQNZNIJPAYTWJK-UHFFFAOYSA-N |
Canonical SMILES |
C1=CC(=C(C=C1C#N)C(=O)O)N |
UNSPSC Code |
12352100 |
Physical and chemical properties of 2-Amino-5-cyanobenzoic acid
Acidity coefficient |
4.38±0.10(Predicted) |
|---|---|
Boiling Point |
389.3±37.0 °C at 760 mmHg |
Density |
1.4±0.1 g/cm3 |
Exact Mass |
162.042923 |
Flash Point |
189.2±26.5 °C |
Index of Refraction |
1.640 |
LogP |
1.50 |
Molecular Formula |
C8H6N2O2 |
Molecular Weight |
162.145 |
PSA |
87.11000 |
Storage condition |
Keep in dark place,Inert atmosphere,Room temperature |
Vapour Pressure |
0.0±0.9 mmHg at 25°C |
Safety Information of 2-Amino-5-cyanobenzoic acid
Applications of 2-Amino-5-cyanobenzoic acid
2-Amino-5-cyanobenzoic acid has several notable applications:
- Pharmaceutical Intermediates: It serves as a key intermediate in the synthesis of various pharmaceuticals, particularly those targeting inflammatory diseases.
- Dyes and Pigments: The compound is utilized in the production of dyes due to its vibrant color properties when incorporated into larger molecular frameworks.
- Research Chemical: It is employed in academic and industrial research settings to explore new synthetic pathways and biological activities.
Interaction Studies of 2-Amino-5-cyanobenzoic acid
Studies have explored the interactions of 2-amino-5-cyanobenzoic acid with various biological molecules. Its ability to form hydrogen bonds due to its amino and carboxylic functional groups allows it to interact effectively with proteins and nucleic acids, making it a candidate for further investigation in drug design and development.
Biological Activity of 2-Amino-5-cyanobenzoic acid
Research indicates that 2-amino-5-cyanobenzoic acid exhibits biological activity that may be relevant for pharmaceutical applications. It has been studied for its potential anti-inflammatory properties and as an intermediate in the synthesis of biologically active compounds. The presence of both amino and cyano groups contributes to its reactivity and potential interactions with biological targets.
Physical sample testing spectrum (NMR) of 2-Amino-5-cyanobenzoic acid
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