HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methyl 1-bromocyclohexanecarboxylate
LABOTEST-BB LT00160081 · METHYL 1-BROMOCYCLOHEXANECARBOXYLATE · methyl 1-bromocyclohexane-1-carboxylate · Methyl 1-broMocyclohexanecarboxylate 97% · METHYL 1-BROMOCYCLOHEXANECARBOXYLATE, 97 % · 1-Bromocyclohexanecarboxylic acid methyl ester · Cyclohexanecarboxylic acid, 1-bromo-, methyl ester
Identifikatoren & physikalische Daten
| CAS No. | 3196-23-4 |
|---|---|
| Summenformel | C8H13BrO2 |
| Durchschnittliche Molmasse | 221,09 g/mol |
| Monoisotopische Masse | 220,00989176 g/mol |
| SMILES | COC(=O)C1(Br)CCCCC1 |
| InChIKey | RNWRVPVPLQMTAP-UHFFFAOYSA-N |
| PubChem CID | 3518593 |
| EC No. | 628-309-1 |
| DTXSID | DTXSID60393248 |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 150 |
| SpringerMaterials Properties | Chemical shift |
| Siedepunkt | 115-116 °C/19 mmHg (lit.) |
| Dichte | 1.39 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.493(lit.) |
| Flammpunkt | 222 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | liquid |
| InChI | 1S/C8H13BrO2/c1-11-7(10)8(9)5-3-2-4-6-8/h2-6H2,1H3 |
| InChIKey | RNWRVPVPLQMTAP-UHFFFAOYSA-N |
| SMILES | COC(=O)C1(Br)CCCCC1 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3265 8/PG 2 |
| R-Sätze (R) | 34-36/37 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-27-28-36/37/39-45 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1BSTOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
Methyl 1-bromocyclohexanecarboxylate may be used in the improved method of preparation of methyl 3-oxo-1-cyclohexene-1-carboxylate. It may be used in the Reformatsky synthesis of 16-aryl-15-oxadispiro[5.1.5.3]hexadecane-7,14-diones.