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2-Brom-5-fluortoluol
1-BROMO-4-FLUORO-2-METHYLBENZENE · 2-BROMO-5-FULUOROTOLRENE · 2-Bromo-5-fL · 2-Bromo-5-fluorotolu · 2-Brom-5-fluortoluol · 2-Bromo-5-flurotoluene · 3-FLUORO-6-BROMOTOLUENE · 2-BROMO-5-FLUOROTOLUENE
Identifikatoren & physikalische Daten
| CAS No. | 452-63-1 |
|---|---|
| Summenformel | C7H6BrF |
| Durchschnittliche Molmasse | 189,02 g/mol |
| Monoisotopische Masse | 187,96369051 g/mol |
| SMILES | Cc1cc(F)ccc1Br |
| InChIKey | RJPNVPITBYXBNB-UHFFFAOYSA-N |
| PubChem CID | 96743 |
| EC No. | 207-203-5 |
| DTXSID | DTXSID90196421 |
| Lokaler Name | 2-Brom-5-fluortoluol |
Chemische & physikalische Eigenschaften
| XLogP | 3,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 94,9 |
| Siedepunkt | 177 °C/756 mmHg (lit.) |
| Dichte | 1.495 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.526(lit.) |
| Flammpunkt | 113 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Difficult to mix.INSOLUBLE |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow to Light orange |
| Wichte | 1.495 |
| BRN | 1859121 |
| InChI | InChI=1S/C7H6BrF/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H3 |
| InChIKey | RJPNVPITBYXBNB-UHFFFAOYSA-N |
| SMILES | C1(Br)=CC=C(F)C=C1C |
| CAS Datenbank | 452-63-1(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Bromo-5-fluorotoluene(452-63-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (91.7%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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 48 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 (91.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 29049090 |
| R-Sätze (R) | 10-36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 16-26-36/37/39-37/39 |
| Gefahrenklasse | 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
2-Bromo-5-fluorotoluene is used to produce other chemicals. It can produce 2-Bromo-5-fluoro-benzoic acid. The reaction occurs with reagent KMnO4, solvent H2O and other condition of heating.