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2,4-Dibromanilin
2,4-DIBROMOBENZENAMINE · 2,4-dibromo-benzenamin · SKL255 · 2,4-Dibromanilin · 2,4-DIBROMOANILINE · 2,4-Dibromoaniline >2,4-Dibromoaniline 98% · 2,4-Dibromoaniline, 98+% · Benzenamine, 2,4-dibromo-
Identifikatoren & physikalische Daten
| CAS No. | 615-57-6 |
|---|---|
| Summenformel | C6H5Br2N |
| Durchschnittliche Molmasse | 250,92 g/mol |
| Monoisotopische Masse | 248,87887336 g/mol |
| SMILES | Nc1ccc(Br)cc1Br |
| InChIKey | DYSRXWYRUJCNFI-UHFFFAOYSA-N |
| PubChem CID | 12004 |
| ChEMBL | CHEMBL1710125 |
| EC No. | 210-434-4 |
| DTXSID | DTXSID4060654 |
| Lokaler Name | 2,4-Dibromanilin |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 97,1 |
| SpringerMaterials Properties | Density |
| Schmelzpunkt | 78-80 °C (lit.) |
| Siedepunkt | 156 °C (24 mmHg) |
| Dichte | 2.26 |
| Brechungsindex | 1.5800 (estimate) |
| Flammpunkt | 156°C/24mm |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | Insoluble in water |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 1.83±0.10(Predicted) |
| Farbe | White to Light yellow |
| BRN | 2206653 |
| InChI | InChI=1S/C6H5Br2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2 |
| InChIKey | DYSRXWYRUJCNFI-UHFFFAOYSA-N |
| SMILES | C1(N)=CC=C(Br)C=C1Br |
| CAS Datenbank | 615-57-6(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenamine, 2,4-dibromo-(615-57-6) |
| EPA chemische Informationen | 2,4-Dibromoaniline (615-57-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (89.4%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (89.4%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 2811 |
| Zollcode | 29214210 |
| R-Sätze (R) | 36/37/38-33-20/21/22-51/53-25 |
| Gefahrensymbole | Xn,Xi,N,T |
| Sicherheitshinweise (S) | 36/37/39-26-61-45 |
| Gefahrenklasse | 6.1Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
2,4-Dibromoaniline is used in preparation of glycopeptides and targeted bifunctional degraders.