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| | 4-Iodophenylacetonitrile Basic information |
| Product Name: | 4-Iodophenylacetonitrile | | Synonyms: | 4-Iodophenylacetonitrile 4-Iodobenzyl Cyanide p-Iodobenzyl Cyanide;p-IodobenzylCyanide;4-Iodophenylacetonitrile 97%;2-(4-iodophenyl)ethanenitrile;4-IODOBENZYL CYANIDE;Benzeneacetonitrile, 4-iodo-;4-Iodophenylacetonitrile-97%;2-(4-iodophenyl)acetonitrile | | CAS: | 51628-12-7 | | MF: | C8H6IN | | MW: | 243.04 | | EINECS: | 626-811-5 | | Product Categories: | | | Mol File: | 51628-12-7.mol |  |
| | 4-Iodophenylacetonitrile Chemical Properties |
| Melting point | 53-57 °C(lit.) | | Boiling point | 152°C/ 3mm | | density | 1.764±0.06 g/cm3(Predicted) | | Fp | >230 °F | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | form | powder to crystal | | color | White to Light yellow | | Water Solubility | Insoluble in water | | Sensitive | Light Sensitive | | BRN | 1934479 | | InChI | 1S/C8H6IN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2 | | InChIKey | PNXWQTYSBFGIFD-UHFFFAOYSA-N | | SMILES | Ic1ccc(CC#N)cc1 | | CAS DataBase Reference | 51628-12-7(CAS DataBase Reference) |
| Hazard Codes | Xn,Xi | | Risk Statements | 22-43 | | Safety Statements | 36/37 | | RIDADR | 3276 | | WGK Germany | 3 | | HazardClass | 6.1 | | PackingGroup | III | | HS Code | 29269090 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral
Skin Sens. 1 |
| | 4-Iodophenylacetonitrile Usage And Synthesis |
| Uses | 4-Iodophenylacetonitrile is used as an intermediate in organic syntheses and in pharmaceuticals. | | Synthesis | The general procedure for the synthesis of 4-iodophenylacetonitrile using 4-iodotoluene as starting material was as follows: referring to the operation of Example 3, a mixture of 4.36 g (20.0 mmol) of p-iodotoluene (Tokyo Kasei), 3.92 g (22.0 mmol) of N-bromosuccinimide (Tokyo Kasei) and 60 mL of carbon tetrachloride (Wako Junyaku Kogyo) was refluxed under incandescent lamp for 4 h. 2.67 g (yield: 45.0%) of 4-iodobenzyl bromide was obtained and the product was a white crystal. Subsequently, 0.49 g (10.0 mmol) of sodium cyanide (Kokusan Kagaku) was dissolved in 10 mL of dimethyl sulfoxide (Aldrich) at 50 °C, 1.48 g (5.0 mmol) of the 4-iodobenzyl bromide prepared as described above was added, and the mixture was stirred for 3 h at room temperature. After the reaction was completed, the reaction mixture was dissolved in water, extracted with hexane, and the hexane was removed by evaporation to give 0.84 g (yield: 68.9%) of 4-iodobenzylacetonitrile, the product was white crystal. | | References | [1] Patent: US5574062, 1996, A
[2] Journal of Organic Chemistry, 2017, vol. 82, # 2, p. 1114 - 1126 |
| | 4-Iodophenylacetonitrile Preparation Products And Raw materials |
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