HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
α-Brom-m-fluortoluol
1-(Bromomethyl)-3-fluorobenzene · NSC 91494 · 3-Fluorobenzyl bromi · Etomidate Impurity 54 · M-FLUOROBENZYL BROMIDE · 3-FLUOROBENZYL BROMIDE · 3-Fluro Benzyl Bromide · à-bromo-3-fluorotoluene
Identifikatoren & physikalische Daten
| CAS No. | 456-41-7 |
|---|---|
| Summenformel | C7H6BrF |
| Durchschnittliche Molmasse | 189,02 g/mol |
| Monoisotopische Masse | 187,96369051 g/mol |
| SMILES | Fc1cccc(CBr)c1 |
| InChIKey | SCBZBMXPJYMXRC-UHFFFAOYSA-N |
| PubChem CID | 68007 |
| EC No. | 207-263-2 |
| DTXSID | DTXSID9060025 |
| Lokaler Name | α-Brom-m-fluortoluol |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 85 |
| Siedepunkt | 88 °C20 mm Hg(lit.) |
| Dichte | 1.541 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.546(lit.) |
| Flammpunkt | 143 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | soluble in Chloroform, Ethyl Acetate |
| Aggregatzustand | Liquid |
| Wichte | 1.541 |
| Farbe | Clear colorless to yellow |
| BRN | 636503 |
| InChI | 1S/C7H6BrF/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2 |
| InChIKey | SCBZBMXPJYMXRC-UHFFFAOYSA-N |
| SMILES | Fc1cccc(CBr)c1 |
| CAS Datenbank | 456-41-7(CAS DataBase Reference) |
| NIST chemische Informationen | «alpha»-Bromo-3-fluorotoluene(456-41-7) |
| EPA chemische Informationen | Benzene, 1-(bromomethyl)-3-fluoro- (456-41-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 3-Fluorobenzyl bromide: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29036990 |
| R-Sätze (R) | 34-36/37 |
| Gefahrensymbole | C |
| hazard_note | Corrosive/Lachrymatory |
| Sicherheitshinweise (S) | 23-26-27-36/37/39-45 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
3-Fluorobenzyl Bromide is a substituted benzyl bromide used as a reagent in the preparation of wide range of biologically active compounds such as antidiabetic drugs, anti-virals and anti-cancer agen ts.
Herstellung & Synthese
synthetische
3-Fluorobenzyl bromide is synthesized from fluorobenzene as the starting material in a one-step bromomethylation process.