HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Fluoro-6-(trifluoromethyl)benzonitrile
2-CYANO-3-FLUOROBENZOTRIFLUORIDE · 3-fluoro-2-cyanobenzotrifluoride · α,α,α,6-tetrafluoro-o-tolunitrile · à,à,à,6-tetrafluoro-o-tolunitrile · 2-Fluoro-6-(trifluoromethyl)benzonitrile · Benzonitrile, 2-fluoro-6-(trifluoromethyl)- · 2-Fluoro-6-(trifluoromethyl)benzonitrile>2-Cyano-1-fluoro-3-(trifluoromethyl)benzene · 2-Fluoro-6-(trifluoromethyl)benzonitrile97%
Identifikatoren & physikalische Daten
| CAS No. | 133116-83-3 |
|---|---|
| Summenformel | C8H3F4N |
| Durchschnittliche Molmasse | 189,11 g/mol |
| Monoisotopische Masse | 189,02016198 g/mol |
| SMILES | N#Cc1c(F)cccc1C(F)(F)F |
| InChIKey | OGQYJDHTHFAPRN-UHFFFAOYSA-N |
| PubChem CID | 145613 |
| EC No. | 627-838-5 |
| DTXSID | DTXSID70157959 |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 226 |
| Schmelzpunkt | 26-28°C |
| Siedepunkt | 178°C (rough estimate) |
| Dichte | 1.373 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.452(lit.) |
| Flammpunkt | 210 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | powder to lump |
| Wichte | 1.373 |
| Farbe | White to Almost white |
| BRN | 4312131 |
| InChI | 1S/C8H3F4N/c9-7-3-1-2-6(5(7)4-13)8(10,11)12/h1-3H |
| InChIKey | OGQYJDHTHFAPRN-UHFFFAOYSA-N |
| SMILES | Fc1cccc(c1C#N)C(F)(F)F |
| CAS Datenbank | 133116-83-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (95.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 3276 |
| Zollcode | 29269090 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn,T,Xi |
| hazard_note | Toxic |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
2-Fluoro-6-(trifluoromethyl)benzonitrile acts as a reagent in the synthesis of Quinolinecarboxamides for the treatment of autoimmune disorders.