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1,3,5-Trifluorbenzol
1,3,5-Trifluorobenze · 1,3,5-TrifL · Trifluorobenzene3 · sym-Trifluorobenzene · 1,3,5-Trifluorbenzol · 1,3,5-TRIFLUOROBENZENE · 1,3,5-TRIFLUOTOBENZENE · Benzene, 1,3,5-trifluoro-
Identifikatoren & physikalische Daten
| CAS No. | 372-38-3 |
|---|---|
| Summenformel | C6H3F3 |
| Durchschnittliche Molmasse | 132,08 g/mol |
| Monoisotopische Masse | 132,01868476 g/mol |
| SMILES | Fc1cc(F)cc(F)c1 |
| InChIKey | JXUKFFRPLNTYIV-UHFFFAOYSA-N |
| PubChem CID | 9745 |
| EC No. | 206-751-2 |
| DTXSID | DTXSID90190686 |
| Lokaler Name | 1,3,5-Trifluorbenzol |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 63,3 |
| Stoffklassen | Other Classes -> Halogenated Monoaromatics |
| SpringerMaterials Properties | Schoenflies notation |
| Dampfdruck | 104.0 [mmHg] |
| Physical Description | Colorless liquid[MSDSonline] |
| Schmelzpunkt | -5.5 °C (lit.) |
| Siedepunkt | 75-76 °C (lit.) |
| Dichte | 1.277 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.414(lit.) |
| Flammpunkt | 19 °F |
| Lagerbedingungen | Flammables area |
| Aggregatzustand | clear liquid |
| Wichte | 1.277 |
| Farbe | Colorless to Almost colorless |
| Löslichkeit | Insoluble in water. |
| BRN | 1906457 |
| InChI | InChI=1S/C6H3F3/c7-4-1-5(8)3-6(9)2-4/h1-3H |
| InChIKey | JXUKFFRPLNTYIV-UHFFFAOYSA-N |
| SMILES | C1(F)=CC(F)=CC(F)=C1 |
| CAS Datenbank | 372-38-3(CAS DataBase Reference) |
| NIST chemische Informationen | 1,3,5-Trifluorobenzene(372-38-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (97.9%): 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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | An irritant[MSDSonline] |
| Hazard Classes and Categories | Flam. Liq. 2 (97.9%) |
| Wassergefährdungsklasse (WGK) | 2 |
| UN-Transportnummer | UN 1993 3/PG 2 |
| Zollcode | 29039990 |
| R-Sätze (R) | 11-36/37/38 |
| Gefahrensymbole | F,Xi |
| hazard_note | Flammable |
| Sicherheitshinweise (S) | 16-26-36-7-33-29-7/9 |
| Gefahrenklasse | 3Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
1,3,5-Trifluorobenzene was used in the synthesis of (-)-epicatechin and its 3-O-gallate. It is also used as an intermediate in organic chemical synthesis.