2-Nitrobenzonitrile
- CAS NO.：612-24-8
- Empirical Formula: C7H4N2O2
- Molecular Weight: 148.12
- MDL number: MFCD00007044
- EINECS: 210-301-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-08-01 10:15:31
What is 2-Nitrobenzonitrile?
Chemical properties
YELLOW CRYSTALLINE POWDER
The Uses of 2-Nitrobenzonitrile
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.
Properties of 2-Nitrobenzonitrile
| 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 |
| CAS DataBase Reference | 612-24-8(CAS DataBase Reference) |
| NIST Chemistry Reference | 2-Nitrobenzoic acid nitrile(612-24-8) |
Safety information for 2-Nitrobenzonitrile
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P271:Use only outdoors or in a well-ventilated area. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
Computed Descriptors for 2-Nitrobenzonitrile
| InChIKey | SWBDKCMOLSUXRH-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC=CC=C1[N+]([O-])=O |
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