HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Brom-3-nitroanisol
1-Bromo-4-methoxy-2-nitrobenzene · TIMTEC-BB SBB009974 · 4-Brom-3-nitroanisol · 4-Bromo-3-nitroanisol · 4-BROMO-3-NITROANISOLE · 4-Bromo-3-nitroanlsole · 4-BROMO-3-NITROTHIOANISOLE · 4-Bromo-3-nitroanisole >4-bromo-3-nitrobenzyl ether
Identifikatoren & physikalische Daten
| CAS No. | 5344-78-5 |
|---|---|
| Summenformel | C7H6BrNO3 |
| Durchschnittliche Molmasse | 232,03 g/mol |
| Monoisotopische Masse | 230,95310515 g/mol |
| SMILES | COc1ccc(Br)c([N+](=O)[O-])c1 |
| InChIKey | KCOBIBRGPCFIGF-UHFFFAOYSA-N |
| PubChem CID | 79288 |
| EC No. | 226-290-0 |
| DTXSID | DTXSID90201605 |
| Lokaler Name | 4-Brom-3-nitroanisol |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 55,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 171 |
| Schmelzpunkt | 32-34 °C (lit.) |
| Siedepunkt | 153-154 °C/13 mmHg (lit.) |
| Dichte | 1.8134 (rough estimate) |
| Brechungsindex | 1.6090 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | powder to lump to clear liquid |
| Farbe | White or Colorles to Yellow to Orange |
| BRN | 2446617 |
| InChI | InChI=1S/C7H6BrNO3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3 |
| InChIKey | KCOBIBRGPCFIGF-UHFFFAOYSA-N |
| SMILES | C1(Br)=CC=C(OC)C=C1[N+]([O-])=O |
| CAS Datenbank | 5344-78-5(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Bromo-3-nitroanisole(5344-78-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, 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 8 reports by companies from 3 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 |
| Zollcode | 29093090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Bromo-3-nitroanisole was used in the synthesis of:4-bromo-5-methoxyaniline2-(4-methoxy-2-nitrophenylsulfanyl)benzoic acid4-(1-diethylamino-4-pentylamino)-3-nitrochlorobenzene