3-Cyanobenzoic acid
Pharmaceutical Materials 2025-03-02
CAS Number: 1877-72-1
Molecular Formula: C8H5NO2
Molecular Weight: 147.13 g/mol
Melting Point: 217-224°C
Boiling Point: 324.66°C
Density: 1.325 g/cm³
Usage: It is used as an intermediate in organic synthesis.
| Attribute | Details |
|---|---|
| Chemical Name | 3-Cyanobenzoic acid |
| CAS Number | 528-44-9 |
| Other Names | m-Cyanobenzoic acid, 3-Carboxybenzonitrile |
| Molecular Formula | C8H5NO2 |
| Molecular Weight | 147.13 g/mol |
| Appearance | White crystalline powder |
| Melting Point | 186-189 °C (lit.) |
| Boiling Point | 302.7±23.0 °C at 760 mmHg |
| Density | 1.38±0.1 g/cm³ (Predicted) |
| Refractive Index | 1.608 (Predicted) |
| Flash Point | 137.2±23.3 °C |
| Solubility | Soluble in ethanol, ether, and acetone; slightly soluble in water |
| Stability | Stable under normal conditions. May be incompatible with oxidizing agents and bases. |
| PSA (Polar Surface Area) | 60.17 Ų |
| LogP | (Octanol-Water Partition Coefficient) 1.49 (Predicted) |
| Synthesis Method | Can be synthesized via the cyanation of benzoic acid with cyanuric chloride or via the oxidation of 3-cyanotoluene with potassium permanganate. |
| Applications | Used as an intermediate in the synthesis of organic compounds, such as dyes, pharmaceuticals, and pesticides. It is also used in the preparation of polymers and resins. |
| Storage Conditions | Store in a cool, dry place. Keep away from oxidizing agents and bases. |
| Safety Information | Xi; R22. R36/37/38; S26. S36/37/39; Packing Group III; UN number 3077. |
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