HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Bromethylphenylether
(2-BROMOETHOXY)BENZENE · BETA-BROMOPHENETOLE · NSC 8055 · AKOS BC-2647 · -Bromophenetole · Beta-broMoether · á-bromophenetole · B-BROMOPHENETOLE
Identifikatoren & physikalische Daten
| CAS No. | 589-10-6 |
|---|---|
| Summenformel | C8H9BrO |
| Durchschnittliche Molmasse | 201,06 g/mol |
| Monoisotopische Masse | 199,98367701 g/mol |
| SMILES | BrCCOc1ccccc1 |
| InChIKey | JJFOBACUIRKUPN-UHFFFAOYSA-N |
| PubChem CID | 68526 |
| ChEMBL | CHEMBL3188706 |
| EC No. | 209-634-4 |
| DTXSID | DTXSID9049322 |
| Lokaler Name | 2-Bromethylphenylether |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 9,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 79,3 |
| Stoffklassen | Other Classes -> Halogenated Ethers |
| SpringerMaterials Properties | Diamagnetic susceptibility |
| Physical Description | Colorless crystalline solid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 31-34 °C(lit.) |
| Siedepunkt | 144 °C40 mm Hg(lit.) |
| Dichte | 1.45 |
| Brechungsindex | 1.555-1.557 |
| Flammpunkt | 150 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Solubility in methanol is almost transparent. Soluble in chloroform and ethyl acetate.Insoluble in water. |
| Aggregatzustand | Liquid After Melting |
| Farbe | Clear colorless |
| BRN | 508290 |
| InChI | 1S/C8H9BrO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2 |
| InChIKey | JJFOBACUIRKUPN-UHFFFAOYSA-N |
| SMILES | BrCCOc1ccccc1 |
| CAS Datenbank | 589-10-6(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, (2-bromoethoxy)-(589-10-6) |
| EPA chemische Informationen | Benzene, (2-bromoethoxy)- (589-10-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 4.2% (2 of 48) of reports.WarningH302 (81.2%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 48 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: 23-09-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/16704 |
| Gefahrenübersicht | A skin and strong eye irritantHarmful by ingestion[Sigma-Aldrich MSDS] |
| Peroxide Forming Chemical | beta-BromophenetoleD: Other compounds that may form peroxidesKelly |
| Hazard Classes and Categories | Acute Tox. 4 (81.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 1325 |
| Zollcode | 29093038 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 23-24/25-26 |
| Gefahrenklasse | 4.1Eye Irrit. 2Skin Irrit. 2 |
| Verpackungsgruppe | II |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Phenoxyethyl bromide is used in the synthesis and antihypertensive activity of 4'-substituted spiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-ones.
Herstellung & Synthese
synthetische
2-Phenoxyethyl bromide is synthesized by the reaction of phenol and dibromoethane. Put phenol, dibromoethane and sodium hydroxide in a reaction pot and stir and mix, react at 110 °C for 6 hours, recover dibromoethane, the recovery amount is about 60%, wash with 5% sodium hydroxide solution and water, and divide Take the oil layer, distill under reduced pressure, and collect the fractions at 130-150°C (6.7kPa) to obtain (2-bromoethoxy)benzene.