HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Iodtoluol
2-lodotoluene · 2-IodotoL · O-IODOTOLUENE · 2-IODOTOLUENE · o-Tolyl iodide · Toluene,o-iodo- · 2-Iodotoluene98% · O iodine toluene
Identifikatoren & physikalische Daten
| CAS No. | 615-37-2 |
|---|---|
| Summenformel | C7H7I |
| Durchschnittliche Molmasse | 218,03 g/mol |
| Monoisotopische Masse | 217,95924822 g/mol |
| SMILES | Cc1ccccc1I |
| InChIKey | RINOYHWVBUKAQE-UHFFFAOYSA-N |
| PubChem CID | 5128 |
| ChEBI | CHEBI:39813 |
| EC No. | 210-422-9 |
| DTXSID | DTXSID0060646 |
| Lokaler Name | 2-Iodtoluol |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 70,8 |
| Stoffklassen | Other Classes -> Halogenated Monoaromatics |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Physical Description | Clear dark brown liquid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 11.27°C (estimate) |
| Siedepunkt | 211 °C(lit.) |
| Dichte | 1.713 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.608(lit.) |
| Flammpunkt | 194 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Sparingly), Methanol (Slightly) |
| Aggregatzustand | Liquid |
| Wichte | 1.713 |
| Farbe | Clear yellow to orange |
| BRN | 1634294 |
| InChI | 1S/C7H7I/c1-6-4-2-3-5-7(6)8/h2-5H,1H3 |
| InChIKey | RINOYHWVBUKAQE-UHFFFAOYSA-N |
| SMILES | Cc1ccccc1I |
| CAS Datenbank | 615-37-2(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1-iodo-2-methyl-(615-37-2) |
| EPA chemische Informationen | Benzene, 1-iodo-2-methyl- (615-37-2) |
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 53 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: No longer Valid Update: 01-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29490 |
| Gefahrenübersicht | A skin and strong eye irritant[Sigma-Aldrich MSDS] See 4-Chlorotoluene and o-Chlorotoluene. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2810 |
| Zollcode | 29036990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37-36/37/39-27 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
2-Iodotoluene is used as a reagent in the synthesis of aryl substituted quinones as β-secretase inhibitors.