69113-59-3
3-Iodobenzonitrile
CAS: 69113-59-3
Molecular Formula: C7H4IN
69113-59-3 - Names and Identifiers
| Name | 3-Iodobenzonitrile |
| Synonyms | M-IODOBENZONITRILE 3-IODOBENZONITRILE 3-Cyanoiodobenzene 3-Iodobenzonitrile 3-Cyano-1-iodobenzene 1-Iodo-3-cyanobenzene 1-CYANO-3-IODOBENZENE |
| CAS | 69113-59-3 |
| InChI | InChI=1/C7H4IN/c8-7-3-1-2-6(4-7)5-9/h1-4H |
69113-59-3 - Physico-chemical Properties
| Molecular Formula | C7H4IN |
| Molar Mass | 229.02 |
| Density | 1.91±0.1 g/cm3(Predicted) |
| Melting Point | 40-43°C(lit.) |
| Boling Point | 260.1±23.0 °C(Predicted) |
| Flash Point | >230°F |
| Vapor Presure | 0.0125mmHg at 25°C |
| Appearance | White to white-like crystals |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Sensitive | Light Sensitive |
| Refractive Index | 1.66 |
| MDL | MFCD00079762 |
69113-59-3 - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S37/39 - Wear suitable gloves and eye/face protection S24/25 - Avoid contact with skin and eyes. |
| UN IDs | 3439 |
| WGK Germany | 3 |
| HS Code | 29269090 |
| Hazard Note | Irritant |
| Hazard Class | 6.1 |
| Packing Group | III |
69113-59-3 - Reference Information
| application | m-iodobenzonitrile is an organic intermediate, which can be prepared from 3-aminobenzonitrile through diazotization reaction. There are reports in the literature that m-iodobenzonitrile can be used to prepare organic electroluminescent compounds. |
| Preparation | At room temperature, tert-butyl nitrite (7.5 mL 63.5 mmol,225 μM) and iodine (381 mg. 1.5 mmol) of anhydrous acetonitrile (10 ml) solution is added to 3-aminobenzonitrile (177 mg,1.5 mmol) of anhydrous acetonitrile (10) solution, the mixture is heated at 60°C for 25 minutes, saturated sodium thiosulfate aqueous solution (20 mL) is added, the mixture is concentrated under reduced pressure, most of acetonitrile is removed, and the aqueous phase is extracted with EtOAc(4 × 10mL). The combined organic matter was dried with MgSO4. Filtered and concentrated under reduced pressure to obtain solids. The solids are pre-added to the silica. The residue was purified by rapid column chromatography and eluted with 40g silica and 0-10% heptane solution of EtOAc. Fractions with products were combined and evaporated to obtain interproduct iodobenzonitrile. |
Last Update：2024-04-09 01:59:58
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