HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
α-Brom-o-fluortoluol
1-(BROMOMETHYL)-2-FLUORO-BENZENE · 2-Fluorobenzyl bromi · O-FLUOROBENZYL BROMIDE · 2-FLUOROBENZYL BROMIDE · 2-Fluarobenzyl bromide · à-bromo-2-fluorotoluene · α-Bromo-2-fluorotoluene · 2-FluorobenzylBromide>2-Fluorobenzylbromide,98%
Identifikatoren & physikalische Daten
| CAS No. | 446-48-0 |
|---|---|
| Summenformel | C7H6BrF |
| Durchschnittliche Molmasse | 189,02 g/mol |
| Monoisotopische Masse | 187,96369051 g/mol |
| SMILES | Fc1ccccc1CBr |
| InChIKey | FFWQLZFIMNTUCZ-UHFFFAOYSA-N |
| PubChem CID | 67968 |
| EC No. | 207-169-1 |
| DTXSID | DTXSID50196240 |
| Lokaler Name | α-Brom-o-fluortoluol |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 85 |
| Siedepunkt | 84-85 °C15 mm Hg(lit.) |
| Dichte | 1.567 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.552(lit.) |
| Flammpunkt | 181 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Liquid |
| Wichte | 1.567 |
| Farbe | Clear colorless to slightly yellow |
| BRN | 1099894 |
| InChI | InChI=1S/C7H6BrF/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2 |
| InChIKey | FFWQLZFIMNTUCZ-UHFFFAOYSA-N |
| SMILES | C1(CBr)=CC=CC=C1F |
| CAS Datenbank | 446-48-0(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Fluorobenzyl bromide(446-48-0) |
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 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Benzene, 1-(bromomethyl)-2-fluoro-: 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 |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29039990 |
| R-Sätze (R) | 34-36/37 |
| Gefahrensymbole | C |
| hazard_note | Corrosive/Lachrymatory |
| Sicherheitshinweise (S) | 23-26-27-36/37/39-45 |
| Gefahrenklasse | 8Skin Corr. 1BSTOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
2-Fluorobenzyl bromide was used:in the synthesis of 2-pyrrolo[2,3-d]pyrimidinesas alkylating agent during the synthesis of 8-alkylated imidazolo[1,2-a]pyrimid-5-onesin the synthesis of prasugrel