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(2-Bromethyl)cyclohexan
1-BROMO-2-CYCLOHEXYLETHANE · NSC 6078 · NSC 46808 · 2-Cyclohexylethyl bromide · (2-bromoethyl)-cyclohexane · cyclohexane,(2-bromoethyl)- · Cyclohexane, (2-bromoethyl)- · 2-Cyclohexylethyl bromide,98%
Identifikatoren & physikalische Daten
| CAS No. | 1647-26-3 |
|---|---|
| Summenformel | C8H15Br |
| Durchschnittliche Molmasse | 191,11 g/mol |
| Monoisotopische Masse | 190,03571 g/mol |
| SMILES | BrCCC1CCCCC1 |
| InChIKey | JRQAAYVLPPGEHT-UHFFFAOYSA-N |
| PubChem CID | 15440 |
| EC No. | 216-712-1 |
| DTXSID | DTXSID9075111 |
| Lokaler Name | (2-Bromethyl)cyclohexan |
Chemische & physikalische Eigenschaften
| XLogP | 4,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 65 |
| Schmelzpunkt | 57°C |
| Siedepunkt | 209 °C (lit.) |
| Dichte | 1.221 g/mL at 25 °C (lit.) |
| Brechungsindex | 1.4900 |
| Flammpunkt | 96°C |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Chloroform (Sparingly), Ethyl Acetate (Slightly) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to slightly yellow |
| BRN | 1919816 |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents. |
| InChI | 1S/C8H15Br/c9-7-6-8-4-2-1-3-5-8/h8H,1-7H2 |
| InChIKey | JRQAAYVLPPGEHT-UHFFFAOYSA-N |
| SMILES | BrCCC1CCCCC1 |
| CAS Datenbank | 1647-26-3(CAS DataBase Reference) |
| EPA chemische Informationen | Cyclohexane, (2-bromoethyl)- (1647-26-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (33.3%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29021900 |
| R-Sätze (R) | 36/38 |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
2-CYCLOHEXYLETHYL BROMIDE is a reagent used in the cross-coupling and Grignard reactions. It is used in the synthesis of immunosuppressive agents consisting of 5-phenylalkoxypsoralens as well as agon ists for human vitamin-D resistant Rickets.