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2,5-Difluoranilin
2,5-DIFLUOROBENZENAMINE · Benzenamine, 2,5-difluoro- · Difluoroaniline3 · 2,5-Difluoranilin · 2,5-DIFLUOROANILINE · Aniline, 2,5-difluoro- · 2,5-Difluoroaniline,98% · 2,5-Difluoroaniline 98%
Identifikatoren & physikalische Daten
| CAS No. | 367-30-6 |
|---|---|
| Summenformel | C6H5F2N |
| Durchschnittliche Molmasse | 129,11 g/mol |
| Monoisotopische Masse | 129,03900549 g/mol |
| SMILES | Nc1cc(F)ccc1F |
| InChIKey | YNOOQIUSYGWMSS-UHFFFAOYSA-N |
| PubChem CID | 67775 |
| EC No. | 206-690-1 |
| DTXSID | DTXSID70190144 |
| Lokaler Name | 2,5-Difluoranilin |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 97 |
| Schmelzpunkt | 11-13 °C (lit.) |
| Siedepunkt | 176-178 °C (lit.) |
| Dichte | 1.288 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.513(lit.) |
| Flammpunkt | 156 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 2.19±0.10(Predicted) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Yellow to Orange |
| Wichte | 1.29 |
| Löslichkeit | Not miscible in water. |
| BRN | 2802549 |
| InChI | InChI=1S/C6H5F2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2 |
| InChIKey | YNOOQIUSYGWMSS-UHFFFAOYSA-N |
| SMILES | C1(N)=CC(F)=CC=C1F |
| CAS Datenbank | 367-30-6(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenamine, 2,5-difluoro-(367-30-6) |
Sicherheit & Vorschriften
| F | 8-10-23 |
|---|---|
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2941 |
| Zollcode | 29214210 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 28-36/37/39-26-36 |
| Gefahrenklasse | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralSkin Sens. 1 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
2,5-Difluoroaniline was used in the synthesis of 2,4-di-tert-butyl-6-[(2,5-difluorophenyl)iminomethyl]phenol. It was also used in ultrasound-assisted preparation of 1,4-diazabutadienes. It is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuff.