HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(3-Brompropyl)benzol
(3-BROMOPROPYL)BENZENE · 3-Phenyl-1-bromopropane · 3-BROMO-1-PHENYLPROPANE · 3-PHENYLPROPYL BROMIDE · (3-Bromopropyl)benzene~3-Phenylpropyl bromide · 1-Bromo-3-phenyL · TIMTEC-BB SBB008835 · 1-Bromo-3-phenylprop
Identifikatoren & physikalische Daten
| CAS No. | 637-59-2 |
|---|---|
| Summenformel | C9H11Br |
| Durchschnittliche Molmasse | 199,09 g/mol |
| Monoisotopische Masse | 198,00441245 g/mol |
| SMILES | BrCCCc1ccccc1 |
| InChIKey | XMZQWZJMTBCUFT-UHFFFAOYSA-N |
| PubChem CID | 12503 |
| ChEMBL | CHEMBL4203225 |
| EC No. | 211-294-7 |
| DTXSID | DTXSID1060924 |
| Lokaler Name | (3-Brompropyl)benzol |
Chemische & physikalische Eigenschaften
| XLogP | 3,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 74,8 |
| Stoffklassen | Other Classes -> Halogenated Monoaromatics |
| SpringerMaterials Properties | Density |
| LogP (Verteilungskoeffizient) | 3.72 |
| Dampfdruck | 0.06 [mmHg] |
| Physical Description | Clear colorless liquid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | -10°C (estimate) |
| Siedepunkt | 237-238 °C (lit.) |
| Dichte | 1.31 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.546(lit.) |
| Flammpunkt | 215 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Chloroform, MethanolINSOLUBLE |
| Aggregatzustand | Liquid |
| Wichte | 1.31 |
| Farbe | Clear colorless to light yellow |
| BRN | 2205527 |
| InChI | 1S/C9H11Br/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2 |
| InChIKey | XMZQWZJMTBCUFT-UHFFFAOYSA-N |
| SMILES | BrCCCc1ccccc1 |
| CAS Datenbank | 637-59-2(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Bromo-3-phenylpropane(637-59-2) |
| EPA chemische Informationen | (3-Bromopropyl)benzene (637-59-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (52.6%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 76 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 14-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/101863-Phenylpropyl bromide: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A skin and strong eye irritantHarmful by ingestionMay cause allergic reactions in sensitive individuals[Sigma-Aldrich MSDS] Search for (637-59-2[EC/RN Number]) AND (dermatitis OR allergic OR sensitizer OR sensitization): no results[PubMed] See (2-Bromoethyl)benzene and Benzyl bromide. |
| Hazard Classes and Categories | Acute Tox. 4 (52.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 2810 |
| Zollcode | 29036990 |
| R-Sätze (R) | 22-36/38-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
1-Bromo-3-phenylpropane is used in the synthesis of MraY natural inhibitors as antibacterial agents. Also used in the preparation of quinolinone derivatives as potent and selective MAO-B inhibitors.