Name | 2-Iodobenzonitrile |
Synonyms | 2-Iodobenzonitrile O-IODOBENZONITRILE 2-iodobenzontirlle o-Iodobenzonitrile 2-lodobenzonitrile 2-IODOBENZONITRILE 1-CYANO-2-IODOBENZENE Nitrile o-iodobenzene |
CAS | 4387-36-4 |
InChI | InChI=1/C7H4IN/c8-7-4-2-1-3-6(7)5-9/h1-4H |
Molecular Formula | C7H4IN |
Molar Mass | 229.02 |
Density | 1.91±0.1 g/cm3(Predicted) |
Melting Point | 52-54°C |
Boling Point | 147 °C / 15mmHg |
Flash Point | 110°C |
Solubility | soluble in Methanol |
Vapor Presure | 0.00323mmHg at 25°C |
Appearance | Solid |
Color | Yellow |
Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
Sensitive | Sensitive to light |
Refractive Index | 1.66 |
MDL | MFCD00079761 |
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. R36 - Irritating to the eyes R22 - Harmful if swallowed |
Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
UN IDs | 3439 |
WGK Germany | 3 |
HS Code | 29269090 |
Hazard Note | Harmful |
Hazard Class | IRRITANT-HARMFUL |
Packing Group | III |
introduction | 2-iodocyano is a nitrile compound. Nitrile compounds are one of the most important organic synthetic intermediates in organic synthetic chemistry, and are widely used in pesticides, medicines, dyes and other fine chemicals. In addition, because o-iodobenzonitrile compounds contain both cyano and aryl carbon-iodine bonds, and the two are ortho to the benzene ring, so that 2-iodobenzene as an intermediate can have excellent reaction activity. |
preparation | in a 150mL thick-walled pressure-resistant tube equipped with magneton stirring, 1.0mmol(234.0mg) of o-iodobenzyl alcohol, 5.0mL of ammonia water (1.6mol/L), 5mol%(9.5mg) of cuprous iodide, TEMPO8mol%(12.5mg) and 18h of reaction at 120 ℃ are added to the system under air atmosphere, after the reaction is over, the reaction solution is cooled to room temperature and extracted with ethyl acetate (3 × 5.0mL). Combine the organic layers, vacuum concentration to remove ethyl acetate to obtain a crude product. The crude product was purified by column chromatography (petroleum ether: ethyl acetate = 10:1) to get the pure target product. 206.1mg was obtained with 90% yield. |
use | as a pharmaceutical intermediate |