4-Cyanobenzoic acid
4-Cyanobenzoic acid
CAS: 619-65-8
Molecular Formula: C8H5NO2
4-Cyanobenzoic acid - Names and Identifiers
| Name | 4-Cyanobenzoic acid |
| Synonyms | NSC 6306 4-cyanobenzoate 4-Cyanobenzoic acid p-cyano benzoic acid 4-Carboxybenzonitrile Benzoicacid, 4-cyano- The cyano benzoic acid 4-Cyanobenzoic acid,Terephthalic acid mononitrile |
| CAS | 619-65-8 |
| EINECS | 210-606-9 |
| InChI | InChI=1/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11) |
4-Cyanobenzoic acid - Physico-chemical Properties
| Molecular Formula | C8H5NO2 |
| Molar Mass | 147.13 |
| Density | 1.3067 (rough estimate) |
| Melting Point | 219-221°C (dec.)(lit.) |
| Boling Point | 267.22°C (rough estimate) |
| Flash Point | 160°C |
| Solubility | Soluble in methanol. |
| Vapor Presure | 3.19E-05mmHg at 25°C |
| Appearance | Crystalline Powder |
| Color | White to yellow-beige |
| BRN | 1862865 |
| pKa | 3.55(at 25℃) |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Incompatible with strong oxidizing agents, strong acids, strong bases. |
| Sensitive | Air Sensitive |
| Refractive Index | 1.5510 (estimate) |
| Physical and Chemical Properties | Melting point 217-222°C |
| Use | Used as an intermediate in organic synthesis |
4-Cyanobenzoic acid - Risk and Safety
| Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S22 - Do not breathe dust. |
| UN IDs | 3276 |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 29269095 |
| Hazard Note | Harmful/Irritant/Air Sensitive |
| Hazard Class | 6.1 |
| Packing Group | III |
4-Cyanobenzoic acid - Reference Information
| LogP | 1.56 |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Use | p-carboxybenzylamine intermediate. Used as an intermediate in organic synthesis |
| Production method | It is obtained by diazotization of p-aminobenzoic acid and cyanidation of nickel sulfate. |
Last Update：2024-04-09 15:16:46
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