4-Iodanisol
1-IODO-4-METHOXYBENZENE · P-IODOANISOLE · p-iodoanisol · 4-IODOANISOL · Isoform · 4-IODANISOLE · 4-lodoanisole · 4-METHOXYIODOBENZENE
Identifikatoren & physikalische Daten
| CAS No. | 696-62-8 |
|---|---|
| Summenformel | C7H7IO |
| Durchschnittliche Molmasse | 234,03 g/mol |
| Monoisotopische Masse | 233,95416284 g/mol |
| SMILES | COc1ccc(I)cc1 |
| InChIKey | SYSZENVIJHPFNL-UHFFFAOYSA-N |
| PubChem CID | 69676 |
| ChEBI | CHEBI:174192 |
| EC No. | 211-798-7 |
| DTXSID | DTXSID7061015 |
| Lokaler Name | 4-Iodanisol |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 9,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 77 |
| Stoffklassen | Other Classes -> Halogenated Anisoles |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Physical Description | Pale yellow powder[Alfa Aesar MSDS] |
| Schmelzpunkt | 50-53 °C(lit.) |
| Siedepunkt | 237 °C726 mm Hg(lit.) |
| Dichte | 1.7904 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Soluble in ethanol, ether, chloroform. |
| Aggregatzustand | Crystalline Powder and Chunks |
| Farbe | Off-white to brown |
| BRN | 1906692 |
| InChI | 1S/C7H7IO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3 |
| InChIKey | SYSZENVIJHPFNL-UHFFFAOYSA-N |
| SMILES | COc1ccc(I)cc1 |
| CAS Datenbank | 696-62-8(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1-iodo-4-methoxy-(696-62-8) |
| EPA chemische Informationen | Benzene, 1-iodo-4-methoxy- (696-62-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Benzene, 1-iodo-4-methoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Gefahrenübersicht | A skin and strong eye irritant[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 8 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29093090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Iodoanisole is used in wide range of medicals industrial applications as well as in human and animal nutrition products, pharmaceutical intermediates, polarizing films for Liquid Crystal Display (LCD) chemicals. Iodine derivatives are also used as organic building blocks, analytical reagents.
Herstellung & Synthese
synthetische
4-Iodoanisole is synthesized by the reaction of anisole with iodine chloride. Add anisole to glacial acetic acid, stir and slowly add iodine chloride. After the addition was completed, the temperature was refluxed for 3.5h. Cool, pour into ice water, and precipitate p-iodoanisole. After it was separated, the free iodine was washed with 5% sodium sulfite, then washed with water, distilled under reduced pressure, and the fractions with a boiling point of 140-160 °C (5.33 kPa) were collected and cooled to 0 °C for filtration. Wash with methanol and recrystallize to obtain the finished product.