HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Brom-3-nitrotoluol
1-Bromo-4-methyl-2-nitrobenzene · BROMONITROTOLUENE-4 · 3-nitro-4-broMotoluol · 4-BROMO-3-NITROTOLUENE · 4-Bromo-3-nitrotoluene >4-Bromo-3-nitrotoluene,99% · 4-BROMO-3-NITROTOLUENE 99% · 4-BroMo-3-nitrotoluene, 98+% · 4-Methyl-2-nitrobromobenzene
Identifikatoren & physikalische Daten
| CAS No. | 5326-34-1 |
|---|---|
| Summenformel | C7H6BrNO2 |
| Durchschnittliche Molmasse | 216,03 g/mol |
| Monoisotopische Masse | 214,95819 g/mol |
| SMILES | Cc1ccc(Br)c([N+](=O)[O-])c1 |
| InChIKey | UPBUTKQMDPHQAQ-UHFFFAOYSA-N |
| PubChem CID | 79224 |
| EC No. | 226-203-6 |
| DTXSID | DTXSID00201378 |
| Lokaler Name | 4-Brom-3-nitrotoluol |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| 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 | 31-33 °C (lit.) |
| Siedepunkt | 151.5-152.5 °C/14 mmHg (lit.) |
| Dichte | 1.578 g/mL at 25 °C (lit.) |
| Brechungsindex | 1.5930 (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 |
| Wichte | 1.578 |
| BRN | 1945925 |
| InChI | 1S/C7H6BrNO2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3 |
| InChIKey | UPBUTKQMDPHQAQ-UHFFFAOYSA-N |
| SMILES | Cc1ccc(Br)c(c1)[N+]([O-])=O |
| CAS Datenbank | 5326-34-1(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Bromo-3-nitrotoluene(5326-34-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (15.2%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (10.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (15.2%)Acute Tox. 4 (10.9%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (97.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29049090 |
| R-Sätze (R) | 36/37/38-22-20/21/22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36-36/37-36/37/39-22 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
4-Bromo-3-nitrotoluene may be used as a starting material in the synthesis of 2-bromo-5-methylaniline and as a reagent in the synthesis of 2-nitro-4:4′-dimethyl-diphenyl by reacting with p-iodotoluene.