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4-Iodtoluol
1-IODO-4-METHYLBENZENE · P-IODOTOLUENE · 4-Iodotouene · p-Methyliodobenzene · 1-Methyl-4-iodobenzene · 4-IodotoL · 4-IODOTOLUENE · 4-lodotoluene
Identifikatoren & physikalische Daten
| CAS No. | 624-31-7 |
|---|---|
| Summenformel | C7H7I |
| Durchschnittliche Molmasse | 218,03 g/mol |
| Monoisotopische Masse | 217,95924822 g/mol |
| SMILES | Cc1ccc(I)cc1 |
| InChIKey | UDHAWRUAECEBHC-UHFFFAOYSA-N |
| PubChem CID | 12207 |
| EC No. | 210-841-7 |
| DTXSID | DTXSID4060785 |
| Lokaler Name | 4-Iodtoluol |
Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 62,8 |
| Stoffklassen | Other Classes -> Halogenated Monoaromatics |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Physical Description | White to yellow solidmp = 33-35 deg C[Alfa Aesar MSDS] |
| Schmelzpunkt | 33-35 °C (lit.) |
| Siedepunkt | 211.5 °C (lit.) |
| Dichte | 1,678 g/cm3 |
| Brechungsindex | 1.6155 (estimate) |
| Flammpunkt | 194 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Solubility in methanol is almost transparent.insoluble |
| Aggregatzustand | Crystalline Low Melting Mass |
| Farbe | White to light yellow |
| BRN | 1903637 |
| InChI | 1S/C7H7I/c1-6-2-4-7(8)5-3-6/h2-5H,1H3 |
| InChIKey | UDHAWRUAECEBHC-UHFFFAOYSA-N |
| SMILES | Cc1ccc(I)cc1 |
| CAS Datenbank | 624-31-7(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1-iodo-4-methyl-(624-31-7) |
| EPA chemische Informationen | Benzene, 1-iodo-4-methyl- (624-31-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 20 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzene, 1-iodo-4-methyl-Status: Active Update: 26-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/267214-Iodotoluene: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A skin and strong eye irritant[Alfa Aesar MSDS] See 4-Chlorotoluene. |
| Hazard Classes and Categories | Acute Tox. 4 (40%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29036990 |
| R-Sätze (R) | 36/38-36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25-26 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 OralSkin Irrit. 2 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Iodotoluene is used in wide range of medicals industrial applications as well as in pharmaceutical intermediates, polarizing films for Liquid Crystal Display (LCD) chemicals.