HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Acetonitrile, fluoro-
2-fluoroacetonitrile · SKL071 · Floroacetonitrile · fluoro-acetonitril · FLUOROACETONITRILE · Fluoromethyl cyanide · Acetonitrile, fluoro- · 2-fluoroethanenitrile
Identifikatoren & physikalische Daten
| CAS No. | 503-20-8 |
|---|---|
| Summenformel | C2H2FN |
| Durchschnittliche Molmasse | 59,04 g/mol |
| Monoisotopische Masse | 59,01712728 g/mol |
| SMILES | N#CCF |
| InChIKey | GNFVFPBRMLIKIM-UHFFFAOYSA-N |
| PubChem CID | 10420 |
| EC No. | 610-523-1 |
| DTXSID | DTXSID10198301 |
Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 4 |
| Formalladung | 0 |
| Komplexität | 41,2 |
| SpringerMaterials Properties | Coriolis coupling |
| Schmelzpunkt | -13 °C |
| Siedepunkt | 79-80 °C (lit.) |
| Dichte | 1.061 g/mL at 25 °C (lit.) |
| Brechungsindex | 1.333 |
| Flammpunkt | 7°F |
| Löslichkeit | Slightly soluble in water |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| InChI | InChI=1S/C2H2FN/c3-1-2-4/h1H2 |
| InChIKey | GNFVFPBRMLIKIM-UHFFFAOYSA-N |
| SMILES | C(#N)CF |
| CAS Datenbank | 503-20-8(CAS DataBase Reference) |
| NIST chemische Informationen | Fluoroacetonitrile(503-20-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3273 |
| Zollcode | 2926907090 |
| RTECS-Nr. | AM0175000 |
| R-Sätze (R) | 11-23/24/25-36/37/38 |
| Gefahrensymbole | FT,T,F |
| Sicherheitshinweise (S) | 16-26-27-36/37/39-45 |
| Gefahrenklasse | 3.1Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralEye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Fluoroacetonitrile is a water disinfectant byproduct that showed weak inhibition of rat hepatic glutathione S-transferases in vitro. Fluoroacetonitrile is also a reagent in the preparation of the PAD4 inhibitor F-Amidine.