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| 2-Aminobenzonitrile Basic information |
| 2-Aminobenzonitrile Chemical Properties |
| Melting point | 45-48 °C (lit.) | | Boiling point | 267-268 °C (lit.) | | density | 1.11 g/cm3 (50℃) | | refractive index | 1.5500 (estimate) | | Fp | >230 °F | | storage temp. | Keep in dark place,Inert atmosphere,Room temperature | | solubility | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) | | form | Crystalline Flakes | | pka | 0.77(at 25℃) | | color | Yellow to beige-brown | | Water Solubility | INSOLUBLE | | BRN | 907187 | | InChIKey | HLCPWBZNUKCSBN-UHFFFAOYSA-N | | LogP | 0.901 | | CAS DataBase Reference | 1885-29-6(CAS DataBase Reference) | | NIST Chemistry Reference | Benzonitrile, 2-amino-(1885-29-6) | | EPA Substance Registry System | Benzonitrile, 2-amino- (1885-29-6) |
| Hazard Codes | Xn,T,Xi | | Risk Statements | 20/21/22-36/37/38-43 | | Safety Statements | 26-36/37-36 | | RIDADR | 3276 | | WGK Germany | 2 | | RTECS | CB4575000 | | TSCA | T | | HazardClass | 6.1 | | PackingGroup | III | | HS Code | 29269095 | | Toxicity | LD50 ivn-mus: 180 mg/kg CSLNX* NX#00381 |
| 2-Aminobenzonitrile Usage And Synthesis |
| Chemical Properties | Yellow Solid | | Uses | 2-Aminobenzonitrile is used for induction of nitrilase activity in Arthrobacter and for radioprotective agent.
| | Preparation | 2-Aminobenzamide was dehydrated to 2-aminobenzonitrile without protection of the amino group in the presence of phenylphosphonyl dichloride and pyridine. Other structural isomers (3-aminobenzamide and 4-aminobenzamide) did not give corresponding aminobenzonitriles.In this paper, the dehydration reactions of 2-aminobenzamide (1a) to 2-aminobenzonitrile (3a) using phosphoryl chloride (2a), phenyl phosphoryl dichloride (2b), 4-chlorophenyl phosphoryl dichloride (2c) or phenylphosphonic dichloride (2d) in pyridine are reported.The chemical yield and melting point of 2-aminobenzonitrile (3a) obtained by four dehydrating reagents (2a-d) are listed in Table-1. 2-Aminobenzamide was dehydrated by reagents 2a-c to give 2-aminobenzonitrile in the yield lower than 60 %, while the reaction by reagent (2d) gave the highest yield, 96 %. On the other hand, benzamide (1b) without amino groups afforded benzonitrile (3a) in the yield of 43 %.synthesis of aminobenzonitrile by dehydration of aminobenzamide using phenylphosphonic dichloride in pyridine | | Synthesis Reference(s) | Journal of the American Chemical Society, 96, p. 5933, 1974 DOI: 10.1021/ja00825a039The Journal of Organic Chemistry, 43, p. 944, 1978 DOI: 10.1021/jo00399a030Tetrahedron Letters, 32, p. 1007, 1991 DOI: 10.1016/S0040-4039(00)74473-X | | Safety Profile | Poison by intravenous route. Seealso NITRILES. When heated to decomposition it emitstoxic fumes of NOx and CN- . |
| 2-Aminobenzonitrile Preparation Products And Raw materials |
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