HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
α,α,α,4-Tetrafluortoluol
1-FLUORO-4-(TRIFLUOROMETHYL)BENZENE · p-Fluorotrif · 4-tetrafluorotoluene · 4-Fluorobenzotrifluo · 4-Fluorobezotrifluoride · P-FLUOROBENZOTRIFLUORIDE · 4-FLUOROBENZOTRIFLUORIDE · 4-fluotobenzotrifluoride
Identifikatoren & physikalische Daten
| CAS No. | 402-44-8 |
|---|---|
| Summenformel | C7H4F4 |
| Durchschnittliche Molmasse | 164,1 g/mol |
| Monoisotopische Masse | 164,02491301 g/mol |
| SMILES | Fc1ccc(C(F)(F)F)cc1 |
| InChIKey | UNNNAIWPDLRVRN-UHFFFAOYSA-N |
| PubChem CID | 67873 |
| EC No. | 206-944-1 |
| DTXSID | DTXSID5059951 |
| Lokaler Name | α,α,α,4-Tetrafluortoluol |
Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 121 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Schmelzpunkt | −42-−41.7 °C(lit.) |
| Siedepunkt | 102-105 °C(lit.) |
| Dichte | 1.293 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.401(lit.) |
| Flammpunkt | 51 °F |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)Slightly soluble in water. |
| Aggregatzustand | Liquid |
| Wichte | 1.2930 |
| Farbe | Clear colorless |
| BRN | 1909390 |
| InChI | 1S/C7H4F4/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H |
| InChIKey | UNNNAIWPDLRVRN-UHFFFAOYSA-N |
| SMILES | Fc1ccc(cc1)C(F)(F)F |
| CAS Datenbank | 402-44-8(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1-fluoro-4-(trifluoromethyl)-(402-44-8) |
| EPA chemische Informationen | 4-Fluorobenzotrifluoride (402-44-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger 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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1993 3/PG 2 |
| Zollcode | 29039990 |
| R-Sätze (R) | 11-36/37/38 |
| Gefahrensymbole | F,Xi,F+ |
| hazard_note | Flammable/Irritant |
| Sicherheitshinweise (S) | 16-26-33-24/25-7/9 |
| Gefahrenklasse | 3Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
4-Fluorobenzotrifluoride was used in the synthesis of 2,2-bis(trifluoromethylphenoxy)biphenyl via nucleophilic aromatic substitution reaction with 2,2-biphenol, (S)-fluoxetine, potent inhibitor of neuronal serotonin-uptake and 1-aryloxy-2-substituted aminomethyltetrahydronaphthalene derivatives.