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Ethyl 5-bromo-2-chlorobenzoate
LABOTEST-BB LT01148052 · ETHYL 5-BROMO-2-CHLOROBENZOATE · Ethyl 5-bromo2-chlorobenzaldehyde · Ethyl 5-Bromo-2-chlorobenzoate >Ethyl 5-bromo-2-chlorobenzoate,97% · Ethyl 5-bromo-2-chlorobenzoate, 98+% · 5-broMo-2-chloro-3-ethylbenzaldehyde · 5-BROMO-2-CHLOROBENZOIC ACID ETHYL ESTER · 2-chloro-5-broMobenzoic acid ethyl ester
Identifikatoren & physikalische Daten
| CAS No. | 76008-73-6 |
|---|---|
| Summenformel | C9H8BrClO2 |
| Durchschnittliche Molmasse | 263,51 g/mol |
| Monoisotopische Masse | 261,93961928 g/mol |
| SMILES | CCOC(=O)c1cc(Br)ccc1Cl |
| InChIKey | AMGWDYLEMSMUIO-UHFFFAOYSA-N |
| PubChem CID | 144749 |
| EC No. | 616-279-2 |
| DTXSID | DTXSID90226919 |
Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 186 |
| Schmelzpunkt | 128-130 °C |
| Siedepunkt | 288 °C (lit.) |
| Dichte | 1.55 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.56(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Liquid |
| Farbe | Clear light yellow |
| BRN | 6501991 |
| InChI | 1S/C9H8BrClO2/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2H2,1H3 |
| InChIKey | AMGWDYLEMSMUIO-UHFFFAOYSA-N |
| SMILES | CCOC(=O)c1cc(Br)ccc1Cl |
| CAS Datenbank | 76008-73-6(CAS DataBase Reference) |
| EPA chemische Informationen | Benzoic acid, 5-bromo-2-chloro-, ethyl ester (76008-73-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29163100 |
| R-Sätze (R) | 20/22-22-20 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 45-36/37/39-37/38/46-36 |
| Lagerklasse | 12 - Non Combustible Liquids |
Anwendungen & Verwendung
Verwenden
Ethyl 5-Bromo-2-chlorobenzoate may be used in the synthesis of ethyl 6-bromo-3-chloro-3′-methylbiphenyl-2-carboxylate.