HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-(Trifluormethyl)phenylacetonitril
TIMTEC-BB SBB006647 · O-TRIFLUOROMETHYLBENZYL CYANIDE · 2-(TRIFLUOROMETHYL)BENZYL CYANIDE · o-Trifluoromethylphenylacetonitrile · 2-(TRIFLUOROMETHYL)PHENYLACETONITRILE · 2-(Trifluoromethyl)benzeneacetonitrile · 1-(2-(TRIFLUOROMETHYL)PHENYL)ACETONITRILE · Benzeneacetonitrile, 2-(trifluoromethyl)-
Identifikatoren & physikalische Daten
| CAS No. | 3038-47-9 |
|---|---|
| Summenformel | C9H6F3N |
| Durchschnittliche Molmasse | 185,15 g/mol |
| Monoisotopische Masse | 185,04523385 g/mol |
| SMILES | N#CCc1ccccc1C(F)(F)F |
| InChIKey | QXDCZSJGEUSERL-UHFFFAOYSA-N |
| PubChem CID | 76435 |
| EC No. | 221-239-9 |
| DTXSID | DTXSID50184460 |
| Lokaler Name | 2-(Trifluormethyl)phenylacetonitril |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 213 |
| Schmelzpunkt | 32-35 °C(lit.) |
| Siedepunkt | 92°C 11mm |
| Dichte | 1.2863 (estimate) |
| Flammpunkt | 193 °F |
| Brechungsindex | 1.4630 |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | powder to lump to clear liquid |
| Farbe | White or Colorless to Yellow to Orange |
| BRN | 910055 |
| CAS Datenbank | 3038-47-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (93.5%): 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (93.5%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 3439 |
| Zollcode | 29269090 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-27-28-36/37/39 |
| Gefahrenklasse | 6.1 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
2-(Trifluoromethyl)phenylacetonitrile was used in the facile synthesis of 1,2,3,4-tetrasubstituted naphthalenes via the condensation reaction with aromatic acetonitriles under basic conditions.