BRN 3234821
3-Iodobenzyl alcohol
CAS: 57455-06-8
Molecular Formula: C7H7IO
BRN 3234821 - Names and Identifiers
| Name | 3-Iodobenzyl alcohol |
| Synonyms | BRN 3234821 RARECHEM AL BD 0709 m-iodo-benzylalcoho 3-IODOBENZYL ALCOHOL m-Iodobenzyl alcohol 3-Iodobenzyl alcohol M-IODOBENZYL ALCOHOL 3-iodo-benzenemethano (3-iodophenyl)methanol (3-Iodophenyl)methanol Benzyl alcohol, m-iodo- Benzenemethanol, 3-iodo- |
| CAS | 57455-06-8 |
| EINECS | 260-744-9 |
| InChI | InChI=1/C7H7IO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2 |
BRN 3234821 - Physico-chemical Properties
| Molecular Formula | C7H7IO |
| Molar Mass | 234.03 |
| Density | 1.842g/mLat 25°C(lit.) |
| Boling Point | 252°C711mm Hg(lit.) |
| Flash Point | >230°F |
| Vapor Presure | 0.00881mmHg at 25°C |
| Appearance | Liquid |
| Specific Gravity | 1.84 |
| Color | Clear pale yellow to orange-red |
| BRN | 3234821 |
| pKa | 14.09±0.10(Predicted) |
| Storage Condition | 2-8℃ |
| Sensitive | Light Sensitive |
| Refractive Index | n20/D 1.636(lit.) |
| MDL | MFCD00004635 |
BRN 3234821 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | 24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 3 |
| RTECS | DO8318000 |
| HS Code | 29062990 |
| Hazard Note | Irritant |
BRN 3234821 - Reference Information
| Application | 3-iodobenzyl alcohol can be used as an intermediate in pharmaceutical synthesis, which can be prepared from methyl m-iodobenzoic acid as the reaction raw material, and can be used to prepare a new type of dihaloacetylated pyrethroid. At present, pyrethroids are used in almost all crops, nurseries, various urban structures and landscaping sites, construction sites (termites used before construction), home/garden environments and many other places. |
| preparation | put methyl iodobenzoate (1.0eq.) into a 100mL round bottom flask, put into a magnetic stirrer, deoxygenate with N2, plug in a rubber plug, insert a N2 balloon, add a proper amount of dried toluene with a syringe as solvent, stir evenly, then add LiBH4(inTHF)(2.0M) with a syringe, 1.0~2.0eq.), then transfer the system into an oil bath at 100 ℃, react for 1h, and point the plate to confirm whether the reaction is complete (TLC method). When the reaction is complete, slowly add 5% excess dilute hydrochloric acid as quencher until no bubbles are generated in the reaction system. Then, the reaction system is distilled by a rotary steamer under reduced pressure to basically completely spin-dry the solvent, and then extracted three times with ethyl acetate to collect the organic phase, dried with anhydrous magnesium sulfate, filtered, collected the filtrate, and decompressed distillation to spin-evaporate the solvent. The crude product was purified by column chromatography (dry loading, eluent: petroleum ether/ethyl acetate = 3/1 (volume ratio) Rf = 0.400) to obtain a clear light yellow liquid, I .e. the product 3-iodobenzyl alcohol was obtained. |
Last Update：2024-04-09 15:16:39
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CAS: 57455-06-8
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Mobile: 18021002903
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