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1,8-Dibromoctan
8-Dibromooctane · 1,8-DIBROMOOCANE · 1?-DIBROMOOCTANE · 1,8-DibroMooCLane · 1,8-DIBROMOOCTANE · 1,8-dibromo-octan · Dibromo-1,8 octane · 1,8-OCTANE DIBROMIDE
Identifikatoren & physikalische Daten
| CAS No. | 4549-32-0 |
|---|---|
| Summenformel | C8H16Br2 |
| Durchschnittliche Molmasse | 272,02 g/mol |
| Monoisotopische Masse | 269,96187471 g/mol |
| SMILES | BrCCCCCCCCBr |
| InChIKey | DKEGCUDAFWNSSO-UHFFFAOYSA-N |
| PubChem CID | 78310 |
| EC No. | 224-912-5 |
| DTXSID | DTXSID5063520 |
| Lokaler Name | 1,8-Dibromoctan |
Chemische & physikalische Eigenschaften
| XLogP | 4,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 47,2 |
| Stoffklassen | Other Classes -> Halogenated Aliphatics, Saturated |
| SpringerMaterials Properties | Diamagnetic susceptibility |
| Physical Description | Clear light yellow liquidmp = 12-16 deg C[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 12-16 °C (lit.) |
| Siedepunkt | 270-272 °C (lit.) |
| Dichte | 1.477 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.498(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Sparingly), Hexanes (Slightly)Insoluble |
| Aggregatzustand | Liquid |
| Wichte | 1.465 |
| Farbe | Clear yellow |
| BRN | 1698114 |
| Henry-Konstante | 1.3×10-2 mol/(m3Pa) at 25℃, Sarraute et al. (2006) |
| Dielektrizitätskonstante | 7.4299999999999997 |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents, strong bases. |
| InChI | 1S/C8H16Br2/c9-7-5-3-1-2-4-6-8-10/h1-8H2 |
| InChIKey | DKEGCUDAFWNSSO-UHFFFAOYSA-N |
| SMILES | BrCCCCCCCCBr |
| CAS Datenbank | 4549-32-0(CAS DataBase Reference) |
| NIST chemische Informationen | Octane, 1,8-dibromo-(4549-32-0) |
| EPA chemische Informationen | Octane, 1,8-dibromo- (4549-32-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (97.6%): 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)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Octane, 1,8-dibromo-Octane, 1,8-dibromo-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A skin and strong eye irritant[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (97.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29033990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
1,8-Dibromooctane is used as an additive in the preparation poly[[4,8-bis[(2-ethylhexyl)oxy]benzo[1,2-b:4,5-b']dithiophene-2,6-diyl][3-fluoro-2-[(2-ethylhexyl)carbonyl]thieno[3,4-b]thiophenediyl]]:[6,6]-phenylC71-butyric acid methyl ester, which finds application in the fabrication of organic photovoltaics (OPVs). Further, it is used in the preparation of (1,4-bis-(8-bromooctyloxy)-benzene).