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3-Brompentan
DK612 · DKSI168 · 3-broMide · DKFELEX0152 · 3-Pentylbromid · 3-bromo-pentan · 3-BROMOPENTANE · 3-PENTYL BROMIDE
Identifikatoren & physikalische Daten
| CAS No. | 1809-10-5 |
|---|---|
| Summenformel | C5H11Br |
| Durchschnittliche Molmasse | 151,04 g/mol |
| Monoisotopische Masse | 150,00441245 g/mol |
| SMILES | CCC(Br)CC |
| InChIKey | VTOQFOCYBTVOJZ-UHFFFAOYSA-N |
| PubChem CID | 15738 |
| EC No. | 217-314-0 |
| DTXSID | DTXSID2061987 |
| Lokaler Name | 3-Brompentan |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 23,1 |
| SpringerMaterials Properties | Boiling point |
| Schmelzpunkt | -126.2°C |
| Siedepunkt | 118-119 °C (lit.) |
| Dichte | 1.216 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.445(lit.) |
| Flammpunkt | 65 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Miscible with ethanol, ether, benzene and chloroform. |
| Aggregatzustand | Liquid |
| Farbe | Clear pale yellow |
| BRN | 1730967 |
| Dielektrizitätskonstante | 8.3699999999999992 |
| InChI | InChI=1S/C5H11Br/c1-3-5(6)4-2/h5H,3-4H2,1-2H3 |
| InChIKey | VTOQFOCYBTVOJZ-UHFFFAOYSA-N |
| SMILES | CCC(Br)CC |
| CAS Datenbank | 1809-10-5(CAS DataBase Reference) |
| EPA chemische Informationen | Pentane, 3-bromo- (1809-10-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 56 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| F | 19 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1993 3/PG 2 |
| Zollcode | 29033990 |
| R-Sätze (R) | 11-36/37/38 |
| Gefahrensymbole | F,Xi |
| Sicherheitshinweise (S) | 16-26-36 |
| Gefahrenklasse | 3Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
3-Bromopentane is a glass forming liquid used in the preparation of 2-(1-ethyl-propoxy)-isoindole-1,3-dione. Further, it is employed in organic synthesis.
Herstellung & Synthese
synthetische
Isomerically pure 3-bromopentane could be prepared from tri-1-ethylpropyl phosphite and hydrogen bromide and solvolysed in 60% aqueous ethanol. The detection of about 1% rearrangement products in both acid and weakly alkaline conditions supports the view that carbonium ion intermediates are formed in the reaction of at least a proportion of the molecules[1].