HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Ethyl-3-brombenzoat
Ethyl 3-broMobenzo · RARECHEM AL BI 0052 · ETHYL 3-BROMOBENZOAT · ethyle3-bromobenzoate · Ethyl 3-bromobenzoate · Ethyl 3-Bromobenzoate >Ethyl 3-bromobenzoate ,97% · Ethyl 3-bromobenzoate, 98+% · 3-(Ethoxycarbonyl)bromobenzene
Identifikatoren & physikalische Daten
| CAS No. | 24398-88-7 |
|---|---|
| Summenformel | C9H9BrO2 |
| Durchschnittliche Molmasse | 229,07 g/mol |
| Monoisotopische Masse | 227,97859163 g/mol |
| SMILES | CCOC(=O)c1cccc(Br)c1 |
| InChIKey | QAUASTLEZAPQTB-UHFFFAOYSA-N |
| PubChem CID | 90488 |
| EC No. | 246-223-9 |
| DTXSID | DTXSID40179143 |
| Lokaler Name | Ethyl-3-brombenzoat |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 159 |
| SpringerMaterials Properties | Diamagnetic susceptibility |
| Siedepunkt | 130-131 °C/12 mmHg (lit.) |
| Dichte | 1.431 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.541(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless |
| BRN | 1867121 |
| InChI | 1S/C9H9BrO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3 |
| InChIKey | QAUASTLEZAPQTB-UHFFFAOYSA-N |
| SMILES | CCOC(=O)c1cccc(Br)c1 |
| CAS Datenbank | 24398-88-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.WarningH302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (50%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29163990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 37/39-26-24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Ethyl 3-bromobenzoate is used in the preparation of ethyl 3-ethynylbenzoate. It can react with p-tolyl-boronic acid, and obtain the 4'-methyl-biphenyl-3-carboxylic acid ethyl ester.