HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Chlor-6-fluorbenzonitril
AKOS BBS-00006480 · LABOTEST-BB LT00159627 · 2-Chlor-6-fluorbenzonitril · 6-Chloro-2-Fluorobenzonitrile · 2-CHLORO-6-FLUOROBENZONITRILE · 2-Chloro-6-fluorocyanobenzene · 6-Fluoro-2-chlorobenzonitrile · 2-Fluoro-6-Chlorobenzonitrile
Identifikatoren & physikalische Daten
| CAS No. | 668-45-1 |
|---|---|
| Summenformel | C7H3ClFN |
| Durchschnittliche Molmasse | 155,55 g/mol |
| Monoisotopische Masse | 154,993805 g/mol |
| SMILES | N#Cc1c(F)cccc1Cl |
| InChIKey | XPTAYRHLHAFUOS-UHFFFAOYSA-N |
| PubChem CID | 69587 |
| EC No. | 211-571-2 |
| DTXSID | DTXSID70216919 |
| Lokaler Name | 2-Chlor-6-fluorbenzonitril |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 162 |
| Stoffklassen | Nitrogen Compounds -> Nitriles |
| Physical Description | Crystalline powder[MSDSonline] |
| Schmelzpunkt | 55-59 °C(lit.) |
| Siedepunkt | 104 °C11 mm Hg(lit.) |
| Dichte | 1.3760 (estimate) |
| Flammpunkt | 104-105°C/11mm |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Insoluble in water |
| Aggregatzustand | powder to crystal |
| Farbe | White to Light yellow |
| BRN | 1940332 |
| InChI | InChI=1S/C7H3ClFN/c8-6-2-1-3-7(9)5(6)4-10/h1-3H |
| InChIKey | XPTAYRHLHAFUOS-UHFFFAOYSA-N |
| SMILES | C(#N)C1=C(F)C=CC=C1Cl |
| CAS Datenbank | 668-45-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P280, 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzonitrile, 2-chloro-6-fluoro- |
| Gefahrenübersicht | An irritant[MSDSonline] See NITRILES. |
| Hazard Classes and Categories | Acute Tox. 4 (95.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3439 6.1/PG 3 |
| Zollcode | 29269095 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn,T,Xi |
| hazard_note | Toxic |
| Sicherheitshinweise (S) | 26-37/39-36/37/39-36 |
| Gefahrenklasse | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Chloro-6-fluorobenzonitrile was used in the synthesis of:rac-2-chloro-6-(oxiran-2-ylmethoxy)benzonitrilehigh-molecular-weight, soluble polyarylether alternating copolymers containing pendent cyano groups