HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Bromo-4-methylbenzonitrile
2-BROMO-4-METHYLBEN · 2-Bromo-4-methylbenzonitrile · Benzonitrile,2-bromo-4-methyl- · 2-BroMo-4-Methylbenzonitrile 97% · 2-BroMo-4-Methylbenzonitrile, 97+%
Identifikatoren & physikalische Daten
| CAS No. | 42872-73-1 |
|---|---|
| Summenformel | C8H6BrN |
| Durchschnittliche Molmasse | 196,04 g/mol |
| Monoisotopische Masse | 194,96836 g/mol |
| SMILES | Cc1ccc(C#N)c(Br)c1 |
| InChIKey | JWCMJJIZYDCGTE-UHFFFAOYSA-N |
| PubChem CID | 820802 |
| EC No. | 628-518-8 |
| DTXSID | DTXSID10356242 |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 158 |
| Schmelzpunkt | 51-53°C |
| Siedepunkt | 110°C/5mm |
| Dichte | 1.51±0.1 g/cm3(Predicted) |
| Flammpunkt | 110 °C |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | powder |
| InChI | InChI=1S/C8H6BrN/c1-6-2-3-7(5-10)8(9)4-6/h2-4H,1H3 |
| InChIKey | JWCMJJIZYDCGTE-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC=C(C)C=C1Br |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.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 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 3439 |
| Zollcode | 2926907090 |
| R-Sätze (R) | 20/21/22-36/37/38-22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Gefahrenklasse | IRRITANT, IRRITANT-HARMFULAcute Tox. 4 Oral |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3-Bromo-4-cyanotoluene reacts with magnesium to form Grignard reagent, which can be used as a catalyst for the polymerization of acetylene.