PRODUCT Properties
| Melting point: | 107-109 °C (lit.)
108-110 °C |
| Boiling point: | 165 °C (16 mmHg) |
| Density | 1.4015 (rough estimate) |
| refractive index | 1.5300 (estimate) |
| Flash point: | 165°C/16mm |
| storage temp. | Sealed in dry,Room Temperature |
| form | Crystalline Powder |
| color | Yellow |
| Water Solubility | Insoluble in water. |
| BRN | 638987 |
| InChI | InChI=1S/C7H4N2O2/c8-5-6-3-1-2-4-7(6)9(10)11/h1-4H |
| InChIKey | SWBDKCMOLSUXRH-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC=CC=C1[N+]([O-])=O |
| CAS DataBase Reference | 612-24-8(CAS DataBase Reference) |
| NIST Chemistry Reference | 2-Nitrobenzoic acid nitrile(612-24-8) |
Description and Uses
ET catalysis of Au25 in intramolecular cascade reaction of 2-nitrobenzonitrile, from which 2-amniobenzamide (a precursor of significant pharmaceuticals20,21) is produced with high yield. fluorodenitration of 2-nitrobenzonitrile with Rb18F in DMSO gave an 85% yield of the 18F-labelled benzonitrile after only 20 minutes at 150°C.
Safety
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302+H332 |
| Precautionary statements | P261-P264-P270-P271-P301+P312-P304+P340+P312 |
| Hazard Codes | Xn,Xi |
| Risk Statements | 20/22-36/37/38 |
| Safety Statements | 22-24/25-36-26 |
| RIDADR | 3276 |
| WGK Germany | 3 |
| RTECS | DI4903000 |
| Hazard Note | Irritant |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29269090 |
