HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2,2-Difluoro-1,3-dioxaindan-4-amine
2,2-DIFLUORO-4-AMINOBENZODIOXOLE · 4-AMINO-2,2-DIFLUOROBENZODIOXOLE · 2,2-difluoro-1,3-benzodioxol-4-amine · 4-AMINO-2,2-DIFLUORO-1,3-BENZODIOXOLE · 2,2-DIFLUORO-4-AMINO-1,3-BENZODIOXOLE · 1,3-Benzodioxol-4-aMine, 2,2-difluoro- · 2,2-difluoro-1,3-benzodioxol-4-ylamine · 2,2-difluorobenzo[d][1,3]dioxol-4-amine
Identifikatoren & physikalische Daten
| CAS No. | 106876-54-4 |
|---|---|
| Summenformel | C7H5F2NO2 |
| Durchschnittliche Molmasse | 173,12 g/mol |
| Monoisotopische Masse | 173,02883484 g/mol |
| SMILES | Nc1cccc2c1OC(F)(F)O2 |
| InChIKey | RXIKYXZKSIARLN-UHFFFAOYSA-N |
| PubChem CID | 2736891 |
| EC No. | 641-149-7 |
| DTXSID | DTXSID60371682 |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 44,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 188 |
| Siedepunkt | 201.0±40.0 °C(Predicted) |
| Dichte | 1.51±0.1 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| pKa (Säurekonstante) | 3.26±0.40(Predicted) |
| Löslichkeit | Not miscible or difficult to mix in water. |
| CAS Datenbank | 106876-54-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH227 (16.7%): Combustible liquid [Warning Flammable liquids]P210, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 4 (16.7%) |
| UN-Transportnummer | 2810 |
| Zollcode | 2932990090 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | T |
| hazard_note | Toxic |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Gefahrenklasse | 6.1 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
4-Amino-2,2-difluoro-1,3-benzodioxole is used in organic synthesis.