Akos 91125
Anthranilonitrile
CAS: 1885-29-6
Molecular Formula: C7H6N2
Akos 91125 - Names and Identifiers
| Name | Anthranilonitrile |
| Synonyms | Akos 91125 2-Cyananiline O-CYANOANILINE 2-Cyanoaniline O-Cyanoaniline Anthranilonitrile Aminobenzonitrile O-Aminobenzonitrile O-AMINOBENZONITRILE 2-amino-benzonitril 2-AMINOBENZONITRILE 2-Aminobenzonitrile Benzonitrile, o-amino- 2-Cyano-1-aminobenzene Anthranilic Acid Nitrile 2-Aminobenzonitrile, (Anthranilonitrile |
| CAS | 1885-29-6 |
| EINECS | 217-549-9 |
| InChI | InChI=1/C7H6N2/c8-5-6-3-1-2-4-7(6)9/h1-4H,9H2 |
| InChIKey | HLCPWBZNUKCSBN-UHFFFAOYSA-N |
Akos 91125 - Physico-chemical Properties
| Molecular Formula | C7H6N2 |
| Molar Mass | 118.14 |
| Density | 1.11 g/cm3 (50℃) |
| Melting Point | 45-48 °C (lit.) |
| Boling Point | 267-268 °C (lit.) |
| Flash Point | >230°F |
| Water Solubility | INSOLUBLE |
| Solubility | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) |
| Vapor Presure | 0.00812mmHg at 25°C |
| Appearance | Crystalline Flakes |
| Color | Yellow to beige-brown |
| BRN | 907187 |
| pKa | 0.77(at 25℃) |
| Storage Condition | Keep in dark place,Inert atmosphere,Room temperature |
| Refractive Index | 1.5500 (estimate) |
| Physical and Chemical Properties | Appearance: light yellow crystal Melting Point: 47-49 ° C |
Akos 91125 - 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. R43 - May cause sensitization by skin contact |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37 - Wear suitable protective clothing and gloves. S36 - Wear suitable protective clothing. |
| UN IDs | 3276 |
| WGK Germany | 2 |
| RTECS | CB4575000 |
| TSCA | T |
| HS Code | 29269095 |
| Hazard Class | 6.1 |
| Packing Group | III |
| Toxicity | LD50 ivn-mus: 180 mg/kg CSLNX* NX#00381 |
Akos 91125 - Reference Information
| LogP | 0.901 |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Introduction | 2-aminobenzonitrile compound is a useful chemical and pharmaceutical intermediate, which is widely used in dyes, synthesis of pesticides and pharmaceuticals. For example, tacrine used for treating senile dementia can be obtained by reacting 2-aminobenzonitrile with cyclohexanone; Tacrine derivative was synthesized by condensation of 2-aminobenzonitrile with 1, 3-cyclohexanedione; for the synthesis of potential anti-malarial reagents. |
| preparation | add 0.1mol of isatin and 0.11mol of hydroxylamine hydrochloride into a ML three-necked bottle and add 200mL of dioxane to react with each other for 2-6 hours, after the reaction solution was cooled, 15ml of DMF and 0.15mol of phosphorus oxychloride were further added, and the reaction was carried out at 70 ° C. For 2-8 hours. After completion of the reaction, 0.5 of water was added, and the mixture was heated to hydrolysis for -2 hours. After cooling, the reaction solution was filtered to obtain a crude product. Pure product was obtained after recrystallization from ethanol with a yield of 82%. |
| Use | for organic synthesis |
| category | toxic substances |
| toxicity grade | poisoning |
| Acute toxicity | intraperitoneal-mouse LD50: 1000 mg/kg; Intravenous-mouse LD50: 180 mg/kg |
| flammability hazard characteristics | flammability; Toxic NOx and cyanide fumes from combustion |
| storage and transportation characteristics | warehouse ventilation and low temperature drying |
| fire extinguishing agent | dry powder, foam, sand, carbon dioxide, water mist |
Last Update：2024-04-09 21:11:58
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