HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
p-Bromethylbenzol
1-BROMO-4-ETHYLBENZENE · 2PBr · NSC 60144 · 1-Bromo-4-ethyL · 4-Bromethylbenzol · p-Bromethylbenzol · Ethyl broMobenzene · 4-Bromoethylbenzen
Identifikatoren & physikalische Daten
| CAS No. | 1585-07-5 |
|---|---|
| Summenformel | C8H9Br |
| Durchschnittliche Molmasse | 185,06 g/mol |
| Monoisotopische Masse | 183,98876239 g/mol |
| SMILES | CCc1ccc(Br)cc1 |
| InChIKey | URFPRAHGGBYNPW-UHFFFAOYSA-N |
| PubChem CID | 15313 |
| ChEMBL | CHEMBL3188177 |
| EC No. | 216-439-8 |
| DTXSID | DTXSID0029218 |
| Lokaler Name | p-Bromethylbenzol |
Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 72,6 |
| SpringerMaterials Properties | Boiling point |
| Schmelzpunkt | -43°C |
| Siedepunkt | 204 °C(lit.) |
| Dichte | 1.343 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.544(lit.) |
| Flammpunkt | 147 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform, Ethyl Acetate, MethanolInsoluble in water. |
| Aggregatzustand | Oil |
| Farbe | Clear Colourless |
| Wichte | 1.343 |
| BRN | 1856989 |
| Henry-Konstante | 3.1×10-3 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| Stabilität | Stable. Incompatible with strong oxidizing agents. |
| InChI | 1S/C8H9Br/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H3 |
| InChIKey | URFPRAHGGBYNPW-UHFFFAOYSA-N |
| SMILES | CCc1ccc(Br)cc1 |
| CAS Datenbank | 1585-07-5(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Bromo-4-ethylbenzene(1585-07-5) |
| EPA chemische Informationen | Benzene, 1-bromo-4-ethyl- (1585-07-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 13.6% (3 of 22) of reports.WarningH315 (86.4%): 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 22 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 17-06-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/25850Benzene, 1-bromo-4-ethyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (86.4%) |
| EPA Provisional Peer-Reviewed Toxicity Values | 1-Bromo-4-EthylbenzenePDF Document2011 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2810 |
| Zollcode | 29036990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 23-24/25 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Intermediates of Liquid Crystals