HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Benzene, 1-bromo-3,5-dimethyl-
1-BROMO-3,5-DIMETHYLBENZENE · 3,5-Dimethylbromobenzene · 5-Bromo-1,3-xylene · 5-Bromo-m-xyL · 5-BROMO-M-XYLENE · 5-BROMOMETAXYLENE · 3,5-Xylyl bromide · m-Xylene, 5-bromo-
Identifikatoren & physikalische Daten
| CAS No. | 556-96-7 |
|---|---|
| Summenformel | C8H9Br |
| Durchschnittliche Molmasse | 185,06 g/mol |
| Monoisotopische Masse | 183,98876239 g/mol |
| SMILES | Cc1cc(C)cc(Br)c1 |
| InChIKey | LMFRTSBQRLSJHC-UHFFFAOYSA-N |
| PubChem CID | 136357 |
| EC No. | 629-686-5 |
| DTXSID | DTXSID00204142 |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 80,6 |
| SpringerMaterials Properties | Optical coefficient |
| Schmelzpunkt | -20.49°C (estimate) |
| Siedepunkt | 202-204 °C(lit.) |
| Dichte | 1.362 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.549(lit.) |
| Flammpunkt | 189 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Miscible with tetrahydrofuran. |
| Aggregatzustand | Liquid |
| Wichte | 1.362 |
| Farbe | Clear colorless to light yellow |
| BRN | 1926375 |
| InChI | InChI=1S/C8H9Br/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3 |
| InChIKey | LMFRTSBQRLSJHC-UHFFFAOYSA-N |
| SMILES | C1(Br)=CC(C)=CC(C)=C1 |
| CAS Datenbank | 556-96-7(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1-bromo-3,5-dimethyl-(556-96-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (98.7%): 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 78 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (98.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29036990 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39-37/39 |
Anwendungen & Verwendung
Verwenden
5-Bromo-m-xylene has been used in the synthesis of substituted 2,2′-bis(diphenylphosphanylmethyl)-1,1′-binaphthyl derivatives.