HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Bromo-4-phenylbutane
(4-BROMOBUTYL)BENZENE · 4-PHENYLBUTYL BROMIDE · 1-BROMO-4-PHE · 1-Bromo-4-phenyL · RARECHEM AH CK 0044 · 1-BROMO-4-PHENYLBUTANE · 4-Bromo-1-phenyl butane · Benzene,(4-bromobutyl)-
Identifikatoren & physikalische Daten
| CAS No. | 13633-25-5 |
|---|---|
| Summenformel | C10H13Br |
| Durchschnittliche Molmasse | 213,11 g/mol |
| Monoisotopische Masse | 212,02006252 g/mol |
| SMILES | BrCCCCc1ccccc1 |
| InChIKey | XPBQQAHIVODAIC-UHFFFAOYSA-N |
| PubChem CID | 259668 |
| EC No. | 671-058-8 |
| DTXSID | DTXSID10293481 |
Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 84,9 |
| Schmelzpunkt | 52 °C |
| Siedepunkt | 131-133°C/12mm |
| Dichte | 1.214 |
| Brechungsindex | 1.5380-1.5420 |
| Flammpunkt | 131-133°C/12mm |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow to Light orange |
| Löslichkeit | Slightly soluble in water. |
| BRN | 2042124 |
| InChI | 1S/C10H13Br/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2 |
| InChIKey | XPBQQAHIVODAIC-UHFFFAOYSA-N |
| SMILES | BrCCCCc1ccccc1 |
| CAS Datenbank | 13633-25-5(CAS DataBase Reference) |
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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (97.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29039990 |
| R-Sätze (R) | 36/37/38-53-36/38-21/22 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-36/37 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
1-Bromo-4-phenylbutane is used as pharmaceutical intermediate.