HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2,4-Difluorbenzonitril
0/1/39 · 2,4-DFBN · CASNO: 3939-9-1 · 2,4-Difluorobenzonit · 2-difluorobenzotrile · 4-Difluorobenzonitrile · 2，4-difluorobenzotrile · 2,4-Difuorobenzonitrile
Identifikatoren & physikalische Daten
| CAS No. | 3939-09-1 |
|---|---|
| Summenformel | C7H3F2N |
| Durchschnittliche Molmasse | 139,1 g/mol |
| Monoisotopische Masse | 139,02335554 g/mol |
| SMILES | N#Cc1ccc(F)cc1F |
| InChIKey | LJFDXXUKKMEQKE-UHFFFAOYSA-N |
| PubChem CID | 77545 |
| EC No. | 223-523-8 |
| DTXSID | DTXSID70192582 |
| Lokaler Name | 2,4-Difluorbenzonitril |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 160 |
| SpringerMaterials Properties | Diamagnetic susceptibility |
| Schmelzpunkt | 47-49 °C (lit.) |
| Siedepunkt | 189°C |
| Dichte | 1.246 |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | Crystalline |
| Farbe | White to Almost white |
| BRN | 1940316 |
| InChI | InChI=1S/C7H3F2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H |
| InChIKey | LJFDXXUKKMEQKE-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC=C(F)C=C1F |
| CAS Datenbank | 3939-09-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (98%): 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 51 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzonitrile, 2,4-difluoro- |
| Hazard Classes and Categories | Acute Tox. 4 (98%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN3439 |
| Zollcode | 29269090 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn,T,Xi |
| hazard_note | Toxic |
| Sicherheitshinweise (S) | 26-37/39-36/37/39-36/37 |
| Gefahrenklasse | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2,4-Difluorobenzonitrile has been used in the synthesis of:2-methylsulfonyl-4-fluorobenzylaminefluoro-3-amino-1,2-benzisoxazoles