HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Brom-2,4-dinitrobenzol
2,4-DINITROBROMOBENZENE · NSC 3808 · 2，4-DinRrobromobenzene · 2,4-Nitrophenyl bromide · o,p-dinitrophenylbromide · 2,4-dinitrophenylbromide · 1-BROMO-2,4-DINITROBENZE · 4-Bromo-1,3-dinitrobenzene
Identifikatoren & physikalische Daten
| CAS No. | 584-48-5 |
|---|---|
| Summenformel | C6H3BrN2O4 |
| Durchschnittliche Molmasse | 247 g/mol |
| Monoisotopische Masse | 245,92761868 g/mol |
| SMILES | O=[N+]([O-])c1ccc(Br)c([N+](=O)[O-])c1 |
| InChIKey | PBOPJYORIDJAFE-UHFFFAOYSA-N |
| PubChem CID | 11441 |
| ChEBI | CHEBI:58999 |
| EC No. | 209-539-8 |
| DTXSID | DTXSID3060403 |
| Lokaler Name | 1-Brom-2,4-dinitrobenzol |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 91,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 224 |
| Stoffklassen | Nitrogen Compounds -> Nitros, Aromatic |
| SpringerMaterials Properties | Chemical shift |
| Physical Description | Yellow powder[Aldrich MSDS] |
| Schmelzpunkt | 71-73 °C(lit.) |
| Siedepunkt | 288℃ |
| Dichte | 1.910 |
| Brechungsindex | 1.6100 (estimate) |
| Flammpunkt | 128℃ |
| Löslichkeit | Chloroform (Soluble), Methanol (Slightly)Soluble in water (partly miscible). |
| Aggregatzustand | powder to crystal |
| Farbe | White to Yellow to Green |
| InChI | InChI=1S/C6H3BrN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H |
| InChIKey | PBOPJYORIDJAFE-UHFFFAOYSA-N |
| SMILES | C1(Br)=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O |
| CAS Datenbank | 584-48-5(CAS DataBase Reference) |
| EPA chemische Informationen | Benzene, 1-bromo-2,4-dinitro- (584-48-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Benzene, 1-bromo-2,4-dinitro-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A skin and strong eye irritantMay cause skin sensitization and methemoglobinemia[Aldrich MSDS] See 1-Bromo-4-nitrobenzene. See 1-Chloro-2,6-dinitrobenzene and 1-Chloro-2,4-dinitrobenzene. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Unerwünschte Wirkungen | Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN3459 |
| Zollcode | 29049090 |
| RTECS-Nr. | CY9021500 |
| R-Sätze (R) | 36/37/38-43 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-36/37 |
| Gefahrenklasse | 6.1Eye Irrit. 2Skin Irrit. 2Skin Sens. 1 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
1-Bromo-2,4-dinitrobenzene has been used in the preparation of 2,4-dinitrophenol via treatment with KO2-crown ether complex in benzene. It is used as substrate in protein determination and glutathione S-transferase (GST) assay of chicken and rat prostaglandin D2 synthase (PGDS).