HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Brom-4-iodbenzol
4-BROMOIODOBENZENE · P-BROMOIODOBENZENE · 1,4-bromoiodobenzene · 4-BroMoiodoben · p-Bromiodobenzene · 4-IODOBROMOBENZENE · p-Iodobromobenzene · 4- Bromiodobenzene
Identifikatoren & physikalische Daten
| CAS No. | 589-87-7 |
|---|---|
| Summenformel | C6H4BrI |
| Durchschnittliche Molmasse | 282,9 g/mol |
| Monoisotopische Masse | 281,85411023 g/mol |
| SMILES | Brc1ccc(I)cc1 |
| InChIKey | UCCUXODGPMAHRL-UHFFFAOYSA-N |
| PubChem CID | 11522 |
| EC No. | 209-662-7 |
| DTXSID | DTXSID5060433 |
| Lokaler Name | 1-Brom-4-iodbenzol |
Chemische & physikalische Eigenschaften
| XLogP | 4 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 66,9 |
| Stoffklassen | Other Classes -> Halogenated Monoaromatics |
| SpringerMaterials Properties | Fusion temperature |
| Dampfdruck | 0.02 [mmHg] |
| Physical Description | Light brown crystalline powder[Alfa Aesar MSDS] |
| Schmelzpunkt | 89-91 °C(lit.) |
| Siedepunkt | 120-122 °C14 mm Hg(lit.) |
| Dichte | 2.2236 (rough estimate) |
| Brechungsindex | 1.6618 (estimate) |
| Flammpunkt | 120-122°C/14mm |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | 0.008g/lInsoluble in water. |
| Aggregatzustand | Crystalline Powder, Crystals or Needles |
| Farbe | White to brown |
| BRN | 1904545 |
| Henry-Konstante | 1.5×10-2 mol/(m3Pa) at 25℃, Ebert et al. (2023) |
| InChI | 1S/C6H4BrI/c7-5-1-3-6(8)4-2-5/h1-4H |
| InChIKey | UCCUXODGPMAHRL-UHFFFAOYSA-N |
| SMILES | Brc1ccc(I)cc1 |
| CAS Datenbank | 589-87-7(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1-bromo-4-iodo-(589-87-7) |
| EPA chemische Informationen | Benzene, 1-bromo-4-iodo- (589-87-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (98.1%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P273, 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 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | A skin and strong eye irritant[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (98.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29036990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Harmful/Light Sensitive |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Gefahrenklasse | IRRITANT, LIGHT SENSITIVE, IRRITANT-HARMFULEye Irrit. 2Skin Irrit. 2 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
1-Bromo-4-iodobenzene has been employed:as reagent for in situ desilylation and coupling of silylated alkynesas starting reagent in the total syntheses of ent-conduramine A and ent-7-deoxypancratistatin (alkaloids)as substrate in copper-free Sonogashira coupling in aqueous acetone in synthesis of β,β,dibromostyrenes