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4-Bromo-2-nitroaniline
4-BROMO-2-NITROBENZENAMINE · BUTTPARK 29\04-55 · TIMTEC-BB SBB003381 · 4-bromo-2-nitro-anilin · p-Bromo-o-nitroaniline · 4-BROMO-2-NITRO-PHENYLAMINE · 4-BroMo-2-nitrobenzeneaMine · 1-Amino-4-bromo-2-nitrobenzene
Identifikatoren & physikalische Daten
| CAS No. | 875-51-4 |
|---|---|
| Summenformel | C6H5BrN2O2 |
| Durchschnittliche Molmasse | 217,02 g/mol |
| Monoisotopische Masse | 215,9534395 g/mol |
| SMILES | Nc1ccc(Br)cc1[N+](=O)[O-] |
| InChIKey | ZCWBZRBJSPWUPG-UHFFFAOYSA-N |
| PubChem CID | 70132 |
| EC No. | 629-579-3 |
| DTXSID | DTXSID0061248 |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 71,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 159 |
| Schmelzpunkt | 110-113 °C (lit.) |
| Siedepunkt | 308.7±22.0 °C(Predicted) |
| Dichte | 1.7917 (rough estimate) |
| Brechungsindex | 1.5150 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform, DMSO, Methanol |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | -1.05±0.10(Predicted) |
| Farbe | Orange |
| InChI | InChI=1S/C6H5BrN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2 |
| InChIKey | ZCWBZRBJSPWUPG-UHFFFAOYSA-N |
| SMILES | C1(N)=CC=C(Br)C=C1[N+]([O-])=O |
| CAS Datenbank | 875-51-4(CAS DataBase Reference) |
| EPA chemische Informationen | 4-Bromo-2-nitroaniline (875-51-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, 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 8 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 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29214200 |
| RTECS-Nr. | BW9370000 |
| R-Sätze (R) | 22-36/37/38-43-20/21/22 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Gefahrenklasse | IRRITANT, IRRITANT-HARMFULAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Bromo-2-nitroaniline is used for the synthesis of reagents such as ethyltriphenylphosphonium tribromide;