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2,5-Difluorobenzylamine
(2,5-Difluorophenyl)methanamine · TIMTEC-BB SBB006678 · RARECHEM AL BW 0147 · 2,5-Difluorobenzylam · 2,5-DIFLUOROBENZYLAMINE · 2,5-Difluorobenzylamine>2,5-Difluorobenzylamine97% · 2,5-Difluorobenzylamine 97% · 2,5-Difluorobenzenemethanamine
Identifikatoren & physikalische Daten
| CAS No. | 85118-06-5 |
|---|---|
| Summenformel | C7H7F2N |
| Durchschnittliche Molmasse | 143,13 g/mol |
| Monoisotopische Masse | 143,05465566 g/mol |
| SMILES | NCc1cc(F)ccc1F |
| InChIKey | GDFBHCMFIUBEQT-UHFFFAOYSA-N |
| PubChem CID | 123589 |
| EC No. | 285-658-9 |
| DTXSID | DTXSID20234244 |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 108 |
| Siedepunkt | 76-78 °C (15 mmHg) |
| Dichte | 1.222 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.495(lit.) |
| Flammpunkt | 168 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| pKa (Säurekonstante) | 8.38±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Wichte | 1.222 |
| Farbe | Clear yellow |
| BRN | 3539280 |
| InChI | 1S/C7H7F2N/c8-6-1-2-7(9)5(3-6)4-10/h1-3H,4,10H2 |
| InChIKey | GDFBHCMFIUBEQT-UHFFFAOYSA-N |
| SMILES | NCc1cc(F)ccc1F |
| CAS Datenbank | 85118-06-5(CAS DataBase Reference) |
| NIST chemische Informationen | 2,5-Difluorobenzylamine(85118-06-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2735 8/PG 3 |
| Zollcode | 29214990 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 26-27-36/37/39-45-25 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
2,5-Difluorobenzylamine has been used as amine building block in tandem Ugi/Diels-Alder reaction on soluble polymer support.