4-Nitrobenzonitrile
4-Nitrobenzonitrile
CAS: 619-72-7
Molecular Formula: C7H4N2O2
4-Nitrobenzonitrile - Names and Identifiers
| Name | 4-Nitrobenzonitrile |
| Synonyms | P-Nitro 4-nitro-benzonitril p-Cyanonitrobenzene 4-Nitrobenzonitrile Benzonitrile,4-nitro- para-nitrobenzonitrile 1-Cyano-4-nitrobenzene Benzonitrile, p-nitro- 4-Nitrobenzoesαurenitril |
| CAS | 619-72-7 |
| EINECS | 210-610-0 |
| InChI | InChI=1/C7H4N2O2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H |
4-Nitrobenzonitrile - Physico-chemical Properties
| Molecular Formula | C7H4N2O2 |
| Molar Mass | 148.12 |
| Density | 1.4015 (rough estimate) |
| Melting Point | 144-147°C(lit.) |
| Boling Point | 268.69°C (rough estimate) |
| Solubility | 1.65g/l slightly soluble |
| Appearance | Red yellow powder |
| Color | Yellow |
| BRN | 972078 |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.5300 (estimate) |
| MDL | MFCD00007279 |
| Physical and Chemical Properties | Thallus crystals. Melting point 149 °c. Soluble in chloroform, acetic acid and hot ethanol, slightly soluble in water and ether. Can be sublimated with water vapor volatilization. |
| Use | Used as a pharmaceutical Intermediate |
4-Nitrobenzonitrile - Risk and Safety
| Hazard Symbols | T - Toxic |
| Risk Codes | R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S28A - S36/37 - Wear suitable protective clothing and gloves. S22 - Do not breathe dust. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| UN IDs | UN 2811 6.1/PG 2 |
| WGK Germany | 3 |
| RTECS | DI4903500 |
| TSCA | Y |
| HS Code | 29269095 |
| Hazard Class | 6.1 |
| Packing Group | II |
4-Nitrobenzonitrile - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Application | p-nitrobenzonitrile is a benzonitrile compound. Benzonitrile is the basic structural unit of many natural products, bioactive molecules and drug molecules, and has been widely used in psychotropic drugs. Benzonitrile compounds can also be used as intermediates for advanced coatings such as benzo-melamine, as well as intermediates for the synthesis of pesticides, aliphatic amines and benzoic acid, and as solvents for Nitrile-based rubbers, resins, polymers and coatings. |
| synthetic method | 4-nitrobenzaldehyde (5G, 1eq.) hydroxylamine hydrochloride (4.24g,1.85eq.) 50ml of DMSO was added, and the temperature was raised to 100 ° C. For 0.5h. Water analysis, Suction filtration, column chromatography to give light yellow solid p-nitrobenzonitrile (4G, 82.3%). MS(ESI,m/z):149.3[M H]. |
| Use | for pharmaceutical intermediates |
| production method | p-nitrobenzoic acid p-toluenesulfonamide was stirred and mixed, and the temperature was slowly raised to react at 225-230 °c. The reaction was poured into water, filtered, washed and dried to give P-nitrobenzonitrile. The yield was 82%. |
Last Update：2024-04-09 21:21:28
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