4-Iodobenzyl alcohol
4-Iodobenzyl alcohol
CAS: 18282-51-4
Molecular Formula: C7H7IO
4-Iodobenzyl alcohol - Names and Identifiers
| Name | 4-Iodobenzyl alcohol |
| Synonyms | BRN 1931621 p-iodo-benzylalcoho 4-Iodobenzyl alcohol p-Iodobenzyl alcohol 4-iodo-benzenemethano 4-Iodobenzenemethanol (4-Iodophenyl)Methanol (4-iodophenyl)methanol Benzyl alcohol, p-iodo- Benzenemethanol, 4-iodo- 1-Iodo-4-(hydroxymethyl)benzene 4-IODOBENZYL ALCOHOL-- [C7H7IO] |
| CAS | 18282-51-4 |
| EINECS | 242-160-6 |
| InChI | InChI=1/C7H7IO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2 |
4-Iodobenzyl alcohol - Physico-chemical Properties
| Molecular Formula | C7H7IO |
| Molar Mass | 234.03 |
| Density | 1.867±0.06 g/cm3(Predicted) |
| Melting Point | 72-75 °C (lit.) |
| Boling Point | 136°C/5mmHg(lit.) |
| Flash Point | 115.3°C |
| Solubility | Solubility in water: insoluble |
| Vapor Presure | 0.00414mmHg at 25°C |
| Appearance | grayish crystalline powder |
| Color | White to pale yellow |
| BRN | 1931621 |
| pKa | 14.16±0.10(Predicted) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Sensitive | Light Sensitive |
| Refractive Index | 1.648 |
| MDL | MFCD01732720 |
4-Iodobenzyl alcohol - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| WGK Germany | 3 |
| RTECS | DO8318020 |
| HS Code | 29062990 |
4-Iodobenzyl alcohol - Reference Information
| introduction | 4-iodobenzyl alcohol is an alcohol compound. Alcohol is an important part of many synthetic transformations, drug and material synthesis. Organic borate esters can be converted into alcohols under certain conditions. |
| preparation | under inert gas N2 atmosphere, 4-iodobenzoic acid (124.0mg,0.5mmol, pinacol borane (290 μL,2mmol) was added to the reaction bottle after dehydration and deoxidation treatment, and the reaction was reacted at room temperature for 12 hours. the reaction was removed from the glove box and treated with trimethoxybenzene (84.09mg,0.5mmol) as the internal standard, dissolved with CDCl3, stirring for 10 minutes, sampling, with nuclear magnetic resonance. The calculated 1H yield was 99%. Nuclear magnetic resonance data of the product: 1HNMR(400MHz,CDCl3):δ7.57(d,2H,ArCH),7.02(d,2H,ArCH),4.78(s,2H,OCH2),1.18(s,36H,CH3). Add 1g of silica gel to the sampling residue, use 3mL of methanol as solvent, react at 50 ℃ for 3h, further hydrolyze borate to alcohol, after the reaction, extract three times with ethyl acetate, merge the organic layers, dry with anhydrous sodium sulfate, remove the solvent under reduced pressure, purify by silica gel (100-200 mesh) column chromatography, and use ethyl acetate/hexane (1:5) mixture as eluent to obtain pure primary alcohol, the separation yield was 94%. |
Last Update：2024-04-09 21:11:58
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