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2,6-Difluorbenzonitril
Difluorobenzonitrile · AURORA KA-1071 · 2.6- difluoronitrile · 2,6-DIFLUOROBENZONIT · 6-Difluorobenzonitrile · 2,6-fluorobenzonitrile · 2,6-Difluorbenzonitril · 2,6-Difluorobenzonitrle
Identifikatoren & physikalische Daten
| CAS No. | 1897-52-5 |
|---|---|
| Summenformel | C7H3F2N |
| Durchschnittliche Molmasse | 139,1 g/mol |
| Monoisotopische Masse | 139,02335554 g/mol |
| SMILES | N#Cc1c(F)cccc1F |
| InChIKey | BNBRIFIJRKJGEI-UHFFFAOYSA-N |
| PubChem CID | 74695 |
| ChEMBL | CHEMBL3185302 |
| EC No. | 217-589-7 |
| DTXSID | DTXSID5044609 |
| Lokaler Name | 2,6-Difluorbenzonitril |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 150 |
| Stoffklassen | Nitrogen Compounds -> Nitriles |
| SpringerMaterials Properties | Schoenflies notation |
| Physical Description | Low melting solidMelting point = 30-32 deg C[MSDSonline] Colorless crystals[Ullmann] |
| Schmelzpunkt | 25-28 °C (lit.) |
| Siedepunkt | 197-198 °C |
| Dichte | 1.246 g/mL at 25 °C (lit.) |
| Dampfdruck | 18Pa at 20℃ |
| Brechungsindex | n20/D 1.4875(lit.) |
| Flammpunkt | 176 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly)1.87g/L at 19.85℃ |
| Aggregatzustand | Solid |
| Farbe | Off-White |
| Geruch | Almond-like odor |
| BRN | 2045292 |
| InChI | 1S/C7H3F2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H |
| InChIKey | BNBRIFIJRKJGEI-UHFFFAOYSA-N |
| SMILES | Fc1cccc(F)c1C#N |
| LogP (Verteilungskoeffizient) | 1.9 |
| CAS Datenbank | 1897-52-5(CAS DataBase Reference) |
| NIST chemische Informationen | Benzonitrile, 2,6-difluoro-(1897-52-5) |
| EPA chemische Informationen | Benzonitrile, 2,6-difluoro- (1897-52-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 0.8% (1 of 119) of reports.WarningH302 (97.5%): 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 119 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Cease Manufacture Update: 03-07-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/12707 |
| Gefahrenübersicht | An irritant[MSDSonline] See NITRILES. |
| Hazard Classes and Categories | Acute Tox. 4 (97.5%) |
| Unerwünschte Wirkungen | Other Poison - Chemical Asphyxiant |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 3439 |
| Zollcode | 29269095 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn,T,Xi |
| hazard_note | Toxic |
| Sicherheitshinweise (S) | 26-36-36/37/39 |
| 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
2,6-Difluorobenzonitrile is a halogenated benzonitrile with fungacidal activity. 2,6-Difluorobenzonitrile is the difluoro analogue of the herbicide Dichlobenil.