HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Bromo-3-nitrotoluene
2-Bromo-3-nitrotoL · 2-BROMO-3-NITROTOLUENE · 2-Chloro-3-nitrotoluenem · 2-Bromo-3-nitrotoluene >2-Bromo-3-nitrotoluene,98% · 2-Bromo-3-methylnitrobenzene · 2-BroMo-3-nitrotoluene, 95+% · 2 - broMine - 3 - nitrotoluene · 1-Bromo-2-methyl-6-nitrobenzene
Identifikatoren & physikalische Daten
| CAS No. | 41085-43-2 |
|---|---|
| Summenformel | C7H6BrNO2 |
| Durchschnittliche Molmasse | 216,03 g/mol |
| Monoisotopische Masse | 214,95819053 g/mol |
| SMILES | Cc1cccc([N+](=O)[O-])c1Br |
| InChIKey | GCAAVRIWNMTOKB-UHFFFAOYSA-N |
| PubChem CID | 231828 |
| EC No. | 628-326-4 |
| DTXSID | DTXSID30282877 |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 45,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 157 |
| Schmelzpunkt | 38-41 °C (lit.) |
| Siedepunkt | 135-136 °C/8 mmHg (lit.) |
| Dichte | 0.803 g/mL at 25 °C (lit.) |
| Brechungsindex | 1.6120 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | Low Melting Solid |
| Farbe | Pale yellow |
| InChI | 1S/C7H6BrNO2/c1-5-3-2-4-6(7(5)8)9(10)11/h2-4H,1H3 |
| InChIKey | GCAAVRIWNMTOKB-UHFFFAOYSA-N |
| SMILES | Cc1cccc(c1Br)[N+]([O-])=O |
| CAS Datenbank | 41085-43-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (95.5%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, 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 44 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. 4 (95.5%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29049090 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2-Bromo-3-nitrotoluene may be used in the preparation of unsymmetrical dimethyl dinitro biphenyl, via Ullmann reaction. It may be used as starting material in the synthesis of 10-methylfluoranthene.