3-Aminobenzonitrile
3-Aminobenzonitrile
CAS: 2237-30-1
Molecular Formula: C7H6N2
3-Aminobenzonitrile - Names and Identifiers
| Name | 3-Aminobenzonitrile |
| Synonyms | M-CYANOANILINE 3-CYANOANILINE m-Cyanoaniline 3-AMINOBENZONITRIL 3-Aminobenzonitrile 3-AMINOBENZONITRILE 3-Cyanobenzonitrile m-Anthranilonitrile M-AMINOBENZONITRILE Benzonitrile, m-amino- 3-Aminobenzonitrile, (3-Cyanoaniline) |
| CAS | 2237-30-1 |
| EINECS | 218-800-5 |
| InChI | InChI=1/C7H6N2/c8-5-6-2-1-3-7(9)4-6/h1-4H,9H2 |
3-Aminobenzonitrile - Physico-chemical Properties
| Molecular Formula | C7H6N2 |
| Molar Mass | 118.14 |
| Density | 1.5511 (rough estimate) |
| Melting Point | 48-53°C(lit.) |
| Boling Point | 288-290 °C |
| Flash Point | 112 °C |
| Solubility | soluble in Methanol |
| Appearance | Crystalline Solid |
| Color | Brown |
| BRN | 636498 |
| pKa | 2.75(at 25℃) |
| Refractive Index | 1.5500 (estimate) |
3-Aminobenzonitrile - Risk and Safety
| Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R43 - May cause sensitization by skin contact R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S36/37 - Wear suitable protective clothing and gloves. S36 - Wear suitable protective clothing. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| UN IDs | 3276 |
| WGK Germany | 3 |
| RTECS | DI2454000 |
| HS Code | 29214200 |
| Hazard Note | Harmful |
| Hazard Class | 6.1 |
| Packing Group | III |
3-Aminobenzonitrile - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| uses | aminobenzonitrile compounds are important intermediates in organic synthesis and are widely used in the production of medicines, pesticides, dyes, rubber and fine chemicals. In medicine, the condensation of m-aminobenzonitrile and cyclohexanone can directly synthesize tacrine, an effective drug for the treatment of Alzheimer's disease. Used as a pharmaceutical intermediate |
| preparation | dehydration: add 510g of toluene and 102g(0.75mol) of 3-aminobenzamide into a 1000ml reaction bottle of a reflux device with brine cooling, raise the temperature to 90-100 ℃, slowly add 205g(1.72mol) of thionyl chloride, produce a large amount of tail gas (HCl SO2), and after thionyl chloride is dropped, continue to keep warm until the materials are completely dissolved and no exhaust gas is released. Cooling to 50~60 ℃, that is, dehydration liquid, heat preservation for use. hydrolysis: add 102g of water into a 1000ml reaction bottle, stir and raise the temperature to 50-60 ℃, add the above dehydration liquid dropwise, at this time there is tail gas generation (SO2), control the droplet acceleration, after dripping and stirring until no tail gas is released, adjust the pH of the water layer to 6.5-7.5 with 30% sodium hydroxide solution while it is hot. The organic layer is slowly stirred and cooled to 0-5 ℃, filtered, washed with appropriate amount of 0-5 ℃ toluene, dried to obtain 80.8g of m-aminobenzonitrile with 91.3% yield and 99.6% GC purity. |
| category | toxic substances |
| toxicity classification | poisoning |
| acute toxicity | oral-quail LD50: 560 mg/kg; Oral-Wild Bird LD50: 562 mg/kg |
| flammability hazard characteristics | open flame is combustible; heat emits highly toxic nitrile and nitrogen oxide gas |
| storage and transportation characteristics | warehouse ventilation and low temperature drying; Separate storage and transportation from food, oxidant and acid |
| fire extinguishing agent | mist water, foam, dry powder, carbon dioxide, sand |
Last Update：2024-04-10 22:29:15
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