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3-Fluorbenzonitril
M-FLUOROBENZONITRILE · M-fluoronitrile · 3-fluoronitrile · M-FLUOROBENZONITILE · -Fluorobenzonitrile · 3-fluoro-benzonitril · m-Cyanofluorobenzene · 3-FLUOROBENZONITRILE
Identifikatoren & physikalische Daten
| CAS No. | 403-54-3 |
|---|---|
| Summenformel | C7H4FN |
| Durchschnittliche Molmasse | 121,11 g/mol |
| Monoisotopische Masse | 121,03277735 g/mol |
| SMILES | N#Cc1cccc(F)c1 |
| InChIKey | JZTPKAROPNTQQV-UHFFFAOYSA-N |
| PubChem CID | 67880 |
| EC No. | 206-963-5 |
| DTXSID | DTXSID0059954 |
| Lokaler Name | 3-Fluorbenzonitril |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 135 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Schmelzpunkt | −16 °C(lit.) |
| Siedepunkt | 182-183 °C753 mm Hg(lit.) |
| Dichte | 1.133 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.5043(lit.) |
| Flammpunkt | 154 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Liquid |
| Wichte | 1.133 |
| Farbe | Clear colorless to yellow |
| BRN | 1858941 |
| InChI | InChI=1S/C7H4FN/c8-7-3-1-2-6(4-7)5-9/h1-4H |
| InChIKey | JZTPKAROPNTQQV-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC=CC(F)=C1 |
| CAS Datenbank | 403-54-3(CAS DataBase Reference) |
| NIST chemische Informationen | Benzonitrile, 3-fluoro-(403-54-3) |
| EPA chemische Informationen | Benzonitrile, 3-fluoro- (403-54-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (95.8%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (95.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3276 6.1/PG 3 |
| Zollcode | 29269090 |
| R-Sätze (R) | 22-37/38-41-36/37/38-20/21/22 |
| Gefahrensymbole | Xn,T,Xi |
| hazard_note | Toxic |
| Sicherheitshinweise (S) | 26-39-36/37/39-36 |
| Gefahrenklasse | 6.1Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
3-Fluorobenzonitrile has been used in the preparation of bis(3-cyanophenoxy)phenylenes.