HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Brompropylphenylether
1-Bromo · 3-Phenoxypropyl · 3-Phenoxypropyl brom · 3-PHENOXYBROMOPROPANE · 1-bromopropoxybenzene · 3-Phenoxyethylbromide · 3-PHENOXYPROPYL BROMIDE · (3-bromopropoxy)-benzen
Identifikatoren & physikalische Daten
| CAS No. | 588-63-6 |
|---|---|
| Summenformel | C9H11BrO |
| Durchschnittliche Molmasse | 215,09 g/mol |
| Monoisotopische Masse | 213,99932707 g/mol |
| SMILES | BrCCCOc1ccccc1 |
| InChIKey | NIDWUZTTXGJFNN-UHFFFAOYSA-N |
| PubChem CID | 68522 |
| EC No. | 209-623-4 |
| DTXSID | DTXSID1060425 |
| Lokaler Name | 3-Brompropylphenylether |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 9,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 89,6 |
| Schmelzpunkt | 10-11 °C (lit.) |
| Siedepunkt | 130-134 °C/14 mmHg (lit.) |
| Dichte | 1.365 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.546(lit.) |
| Flammpunkt | 228 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform, DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Liquid |
| Wichte | 1.365 |
| Farbe | Clear slightly brown |
| BRN | 508978 |
| InChI | 1S/C9H11BrO/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2 |
| InChIKey | NIDWUZTTXGJFNN-UHFFFAOYSA-N |
| SMILES | BrCCCOc1ccccc1 |
| LogP (Verteilungskoeffizient) | 3.290 (est) |
| CAS Datenbank | 588-63-6(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, (3-bromopropoxy)-(588-63-6) |
| EPA chemische Informationen | Benzene, (3-bromopropoxy)- (588-63-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 5% (1 of 20) of reports.WarningH315 (95%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 20 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Peroxide Forming Chemical | 3-Bromopropyl phenyl etherD: Other compounds that may form peroxidesKelly |
| Hazard Classes and Categories | Skin Irrit. 2 (95%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29093090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
3-Phenoxypropyl Bromide is a reagent used in the synthesis of damidines in the study of myotonic dystrophy. Also used in thepreparation pf phenoxyalkylbenzimidazoles with antitubercular activity.