HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Fluoro-3-(trifluoromethyl)benzonitrile
BUTTPARK 45\01-76 · 5-CYANO-2-FLUOROBENZOTRIFLUORIDE · 5-cyano-2-fluorotrifluorotoluene · à,à,à,4-tetrafluoro-m-tolunitrile · 4-Fluoro-3-(Trifluromethyl)Benzonitrile · 4-fluoro-3-trifluoromethylphenylnitrile · 4-FLUORO-3-(TRIFLUOROMETHYL)BENZONITRILE · 3-(TRIFLUOROMETHYL)-4-FLUOROBENZONITRILE
Identifikatoren & physikalische Daten
| CAS No. | 67515-59-7 |
|---|---|
| Summenformel | C8H3F4N |
| Durchschnittliche Molmasse | 189,11 g/mol |
| Monoisotopische Masse | 189,02016198 g/mol |
| SMILES | N#Cc1ccc(F)c(C(F)(F)F)c1 |
| InChIKey | CQZQCORFYSSCFY-UHFFFAOYSA-N |
| PubChem CID | 144255 |
| EC No. | 642-616-8 |
| DTXSID | DTXSID60217859 |
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 | 66 °C |
| Siedepunkt | 194°C |
| Dichte | 1,323 g/cm |
| Flammpunkt | 193-195°C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| Farbe | White to Almost white |
| Löslichkeit | Insoluble in water. |
| BRN | 1960344 |
| CAS Datenbank | 67515-59-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301+H311+H331 (12.5%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (12.5%) |
| UN-Transportnummer | 3276 |
| Zollcode | 29269090 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | T,Xi,Xn |
| hazard_note | Toxic |
| Sicherheitshinweise (S) | 26-36/37/39-45-36-36/37-23-9 |
| Gefahrenklasse | 6.1 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
It finds it uses as a pharmaceutical intermediate.