HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Bromo-4-propylbenzene
1-Bromo-4-propyL · 4-broMidewascuMene · Propyl bromobenzene · P-BROMOPROPYLBENZENE · 1-Bromo-4-propylbenz · 1-Brom-4-propylbenzol · 4-propyl bromobenzene · 4-BROMO PROPYLBENZENE
Identifikatoren & physikalische Daten
| CAS No. | 588-93-2 |
|---|---|
| Summenformel | C9H11Br |
| Durchschnittliche Molmasse | 199,09 g/mol |
| Monoisotopische Masse | 198,00441245 g/mol |
| SMILES | CCCc1ccc(Br)cc1 |
| InChIKey | NUPWGLKBGVNSJX-UHFFFAOYSA-N |
| PubChem CID | 136374 |
| EC No. | 454-790-0 |
| DTXSID | DTXSID80207530 |
Chemische & physikalische Eigenschaften
| XLogP | 4,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 82,7 |
| SpringerMaterials Properties | Density |
| Schmelzpunkt | -41.4°C |
| Siedepunkt | 225 °C(lit.) |
| Dichte | 1.286 g/mL at 25 °C(lit.) |
| Dampfdruck | 4.7Pa at 25℃ |
| Brechungsindex | n20/D 1.537(lit.) |
| Flammpunkt | 203 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to slightly yellow |
| Wichte | 1.286 |
| Löslichkeit | 2.867mg/L at 20℃ |
| InChI | InChI=1S/C9H11Br/c1-2-3-8-4-6-9(10)7-5-8/h4-7H,2-3H2,1H3 |
| InChIKey | NUPWGLKBGVNSJX-UHFFFAOYSA-N |
| SMILES | C1(Br)=CC=C(CCC)C=C1 |
| LogP (Verteilungskoeffizient) | 4.9 at 25℃ |
| CAS Datenbank | 588-93-2(CAS DataBase Reference) |
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)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Danger |
|---|---|
| Regulatorische Informationen | Status: Active Update: 11-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/22816 |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29036990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Aquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Irrit. 2 |
Anwendungen & Verwendung
Beschreibung
1-Bromo-4-propylbenzene is an aliphatic hydrocarbon compound containing a bromine functional group in its structure. This feature is crucial for its role in chemical reactions for synthesising other complex structures. 1-Bromo-4-propylbenzene can be used to prepare cyclopalladium catalysts.
Verwenden
Intermediates of Liquid Crystals