HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
α,α,α,3-Tetrafluortoluol
1-FLUORO-3-(TRIFLUOROMETHYL)BENZENE · CL052 · NSC 10315 · 3-Fluorobenzotrifluo · 3-tetrafluorotoluene · 3-Fluorobezotrifluoride · -Fluorobenzotrifluoride · m-fluorotrifluorotoluene
Identifikatoren & physikalische Daten
| CAS No. | 401-80-9 |
|---|---|
| Summenformel | C7H4F4 |
| Durchschnittliche Molmasse | 164,1 g/mol |
| Monoisotopische Masse | 164,02491301 g/mol |
| SMILES | Fc1cccc(C(F)(F)F)c1 |
| InChIKey | GBOWGKOVMBDPJF-UHFFFAOYSA-N |
| PubChem CID | 67867 |
| EC No. | 206-933-1 |
| DTXSID | DTXSID20193140 |
| Lokaler Name | α,α,α,3-Tetrafluortoluol |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 129 |
| PFAS | PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Schmelzpunkt | -81.5°C |
| Siedepunkt | 101-102 °C(lit.) |
| Dichte | 1.302 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.4(lit.) |
| Flammpunkt | 45 °F |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Löslichkeit | Chloroform |
| Aggregatzustand | Oil |
| Farbe | Clear Colourless |
| Wichte | 1.302 |
| BRN | 2045664 |
| InChI | InChI=1S/C7H4F4/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H |
| InChIKey | GBOWGKOVMBDPJF-UHFFFAOYSA-N |
| SMILES | C1(F)=CC=CC(C(F)(F)F)=C1 |
| CAS Datenbank | 401-80-9(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Fluoro-3-(trifluoro-methyl)benzene(401-80-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (96.2%): 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 52 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 18-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24957 |
| Hazard Classes and Categories | Flam. Liq. 2 (96.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1993 3/PG 2 |
| Zollcode | 29039990 |
| R-Sätze (R) | 11-36/37/38 |
| Gefahrensymbole | F,Xi |
| hazard_note | Flammable/Irritant |
| Sicherheitshinweise (S) | 16-26-36-24/25-33-7/9 |
| Gefahrenklasse | 3Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
3-Fluorobenzotrifluoride is a fluorniated toluene used in photochemical reactions with aliphatic amines as well as in photocycloaddition reactions.