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2,5-Dibromanilin
2,5-DIBROMOANILINE · 2,5-Dibromanilin · 2,5-Dibromobenzenami · 2,5-Dibromobenzemine · 2,5-Dibromoaniline>2,5-Dibromoaniline,98% · 2,5-DIBROMOBENZENAMINE · 2,5-Dibromoaniline,97% · 2,5-DIBROMOANILINE 97%
Identifikatoren & physikalische Daten
| CAS No. | 3638-73-1 |
|---|---|
| Summenformel | C6H5Br2N |
| Durchschnittliche Molmasse | 250,92 g/mol |
| Monoisotopische Masse | 248,87887336 g/mol |
| SMILES | Nc1cc(Br)ccc1Br |
| InChIKey | WRTAZRGRFBCKBU-UHFFFAOYSA-N |
| PubChem CID | 77198 |
| EC No. | 222-865-5 |
| DTXSID | DTXSID80189908 |
| Lokaler Name | 2,5-Dibromanilin |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| 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 | Nuclear quadrupole resonance spectroscopy |
| Schmelzpunkt | 51-53 °C (lit.) |
| Siedepunkt | 181.5°C (rough estimate) |
| Dichte | 1.9318 (rough estimate) |
| Brechungsindex | 1.6300 (estimate) |
| Flammpunkt | >230 °F |
| Löslichkeit | soluble in Ethanol,Methanol |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 1.46±0.10(Predicted) |
| Farbe | Beige to dark gray |
| BRN | 1817548 |
| InChI | 1S/C6H5Br2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2 |
| InChIKey | WRTAZRGRFBCKBU-UHFFFAOYSA-N |
| SMILES | Nc1cc(Br)ccc1Br |
| CAS Datenbank | 3638-73-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2811 |
| Zollcode | 29214200 |
| R-Sätze (R) | 20/21/22-36/37/38-33 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-36/37/39 |
| Gefahrenklasse | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2,5-Dibromoaniline was used in the synthesis of 2,4,5-tribromoaniline. It was also used as starting reagent in the regioselective synthesis of 2-(3,4-dimethoxyphenyl)-5-bromobenzothiazole.