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1,2,4,5-Tetrabrombenzol
2,3,5,6-Tetrabromobenzene · NSC 27002 · TETRABROMOBENZENE · Imidaprilat Impurity 9 · 1,2,4,5-TETRABROMOBENZE · I,2,4,5-Tetrabrombenzol · 1,2,4,5-tetrabromo-benzen · 1,2,4,5-Tetrabromobenzene
Identifikatoren & physikalische Daten
| CAS No. | 636-28-2 |
|---|---|
| Summenformel | C6H2Br4 |
| Durchschnittliche Molmasse | 393,7 g/mol |
| Monoisotopische Masse | 389,689 g/mol |
| SMILES | Brc1cc(Br)c(Br)cc1Br |
| InChIKey | QCKHVNQHBOGZER-UHFFFAOYSA-N |
| PubChem CID | 12486 |
| EC No. | 211-253-3 |
| DTXSID | DTXSID7060910 |
| Lokaler Name | 1,2,4,5-Tetrabrombenzol |
Chemische & physikalische Eigenschaften
| XLogP | 5,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 90,3 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | 5.13 |
| Schmelzpunkt | 180-182 °C (lit.) |
| Siedepunkt | 277.95°C (rough estimate) |
| Dichte | 3,072 g/cm3 |
| Brechungsindex | 1.6303 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Soluble in alcohol, benzene, and ether (Weast, 1986)Insoluble in water. |
| Aggregatzustand | Crystalline Powder, Crystals or Needles |
| Farbe | Beige to brown |
| BRN | 1365830 |
| Henry-Konstante | 2.7×10-3 mol/(m3Pa) at 25℃, Kuramochi et al. (2004) |
| Stabilität | Light Sensitive |
| InChI | InChI=1S/C6H2Br4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H |
| InChIKey | QCKHVNQHBOGZER-UHFFFAOYSA-N |
| SMILES | C1(Br)=CC(Br)=C(Br)C=C1Br |
| CAS Datenbank | 636-28-2(CAS DataBase Reference) |
| EPA chemische Informationen | 1,2,4,5-Tetrabromobenzene (636-28-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 51 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29039990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Aquatic Chronic 4Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
1,2,4,5-Tetrabromobenzene is a useful synthetic intermediate. It is used as a building block to prepare various aryl containing compounds such as tetrabenzanthracene, substituted pentacenes [pentacene (P237770)], n-stacking tetracene (N377650) derivatives and so on.