HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Bromo-4-fluorobutane
4-FLUOROBUTYL BROMIDE · 1-bromo-4-fluoro-butan · 1-Bromo-4-fluorobutane · 4-Bromo-1-fluorobutane · 1-fluoro-4-broMobutane · 4-Fluoro-1-bromobutane · 1-Bromo-4-fluorobutane98% · Butane, 1-bromo-4-fluoro-
Identifikatoren & physikalische Daten
| CAS No. | 462-72-6 |
|---|---|
| Summenformel | C4H8BrF |
| Durchschnittliche Molmasse | 155,01 g/mol |
| Monoisotopische Masse | 153,97934058 g/mol |
| SMILES | FCCCCBr |
| InChIKey | WMCUHRDQSHQNRW-UHFFFAOYSA-N |
| PubChem CID | 10022 |
| EC No. | 626-488-0 |
| DTXSID | DTXSID70196767 |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 23,5 |
| SpringerMaterials Properties | Optical coefficient |
| Siedepunkt | 134-135 °C (lit.) |
| Dichte | 1.444 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.439(lit.) |
| Flammpunkt | 113 °F |
| Lagerbedingungen | Flammables area |
| Aggregatzustand | Liquid |
| Farbe | Colorless |
| Löslichkeit | Sparingly soluble in water at 25°C 0.48 g/L. |
| InChI | 1S/C4H8BrF/c5-3-1-2-4-6/h1-4H2 |
| InChIKey | WMCUHRDQSHQNRW-UHFFFAOYSA-N |
| SMILES | FCCCCBr |
| CAS Datenbank | 462-72-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (97.7%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (97.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 2903798000 |
| RTECS-Nr. | EJ6229000 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn,Xi,T,F |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 3Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
1-Bromo-4-fluorobutane may be used in the synthesis of the following:fluoroalkyl[2,5-dimethyl-7-(2,4,6-trimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]alkylamines1-azido-4-fluorobutane4-[2-(4-fluorobutoxy)ethyl][bis(4-methoxymethoxyphenyl)methylene]cyclohexane