HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Chlorpyrimidin-2-amin
5-chloro-pyrimidin-2-ylamine · TIMTEC-BB SBB005486 · 5-chlorpyrimidin-2-amin · 5-chloro-2-pyrimidinamin · 5-CHLORO-2-PYRIMIDINAMINE · 5-chloropyrimidin-2-amine · 2-AMINO-5-CHLOROPYRIMIDINE · 2-amino-5-chloro-pyrimidin
Identifikatoren & physikalische Daten
| CAS No. | 5428-89-7 |
|---|---|
| Summenformel | C4H4ClN3 |
| Durchschnittliche Molmasse | 129,55 g/mol |
| Monoisotopische Masse | 129,00937481 g/mol |
| SMILES | Nc1ncc(Cl)cn1 |
| InChIKey | OQZMDDKDHRIGDY-UHFFFAOYSA-N |
| PubChem CID | 79479 |
| EC No. | 226-581-2 |
| DTXSID | DTXSID9063875 |
| Lokaler Name | 5-Chlorpyrimidin-2-amin |
Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 51,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 69,7 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Schmelzpunkt | 235-238 °C (lit.) |
| Siedepunkt | 314.6±34.0 °C(Predicted) |
| Dichte | 1.437±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 1.93±0.10(Predicted) |
| Farbe | White to Almost white |
| BRN | 110914 |
| InChI | 1S/C4H4ClN3/c5-3-1-7-4(6)8-2-3/h1-2H,(H2,6,7,8) |
| InChIKey | OQZMDDKDHRIGDY-UHFFFAOYSA-N |
| SMILES | Nc1ncc(Cl)cn1 |
| CAS Datenbank | 5428-89-7(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Amino-5-chloropyrimidine(5428-89-7) |
| EPA chemische Informationen | 2-Pyrimidinamine, 5-chloro- (5428-89-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (81.2%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (81.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2811 6.1/PG 3 |
| Zollcode | 29335990 |
| RTECS-Nr. | UV6329500 |
| R-Sätze (R) | 22-41 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37 |
| Gefahrenklasse | 6.1Acute Tox. 3 OralEye Dam. 1 |
| Verpackungsgruppe | Ⅲ |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
5-Chloropyrimidin-2-amine is an useful reagent of research interest in the preparation of JAK2 inhibitors for the treatment of myeloproliferative disorders and SIRT2 inhibitors for the treatment of Huntington''s disease.