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3,5-Dichlorpyridin-4-amin
3,5-DICHLOROPYRIDIN-4-AMINE · 3,5-dichloro-4-pyridinamine · 4-Amino-3,5-Dichloropyridine 99% · AURORA 23319 · Roflumilast-3 · AKOS BBS-00001335 · Roflumilast Imp.C · 4-Amino-3,5-dichL
Identifikatoren & physikalische Daten
| CAS No. | 22889-78-7 |
|---|---|
| Summenformel | C5H4Cl2N2 |
| Durchschnittliche Molmasse | 163 g/mol |
| Monoisotopische Masse | 161,97515349 g/mol |
| SMILES | Nc1c(Cl)cncc1Cl |
| InChIKey | ISIQAMHROGZHOV-UHFFFAOYSA-N |
| PubChem CID | 89888 |
| EC No. | 245-304-6 |
| DTXSID | DTXSID00177428 |
| Lokaler Name | 3,5-Dichlorpyridin-4-amin |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 38,9 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 89 |
| Schmelzpunkt | 159°C |
| Siedepunkt | 250.8±35.0 °C(Predicted) |
| Dichte | 1.497±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 1.48±0.10(Predicted) |
| Farbe | Off-White to Pale Beige |
| BRN | 120547 |
| InChIKey | ISIQAMHROGZHOV-UHFFFAOYSA-N |
| CAS Datenbank | 22889-78-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH300 (47.9%): Fatal if swallowed [Danger Acute toxicity, oral]P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 219 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 1 (47.9%) |
| Zollcode | 29333990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
4-Amino-3,5-dichloropyridine is a metabolite of the selective phosphodiesterase 4 (PDE4) inhibitor, Roflumilast (R639700).