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2-Chloro-4-aminopyrimidine
2-CHLOROPYRIMIDIN-4-AMINE · 2-CHLORO-4-PYRIMIDINAMINE · 2-CHLORO-4-AMINOPYRIMIDINE · 4-AMINO-2-CHLOROPYRIMIDINE · 2-CHLOROPYRIMIDIN-4-YLAMINE · 4-Pyrimidinamine, 2-chloro- · 4-Amino-2-chloropyrimidin... · 4-Amino-2-chloropyrimidine >4-Amino-2-chloropyrimidine ,97%
Identifikatoren & physikalische Daten
| CAS No. | 7461-50-9 |
|---|---|
| Summenformel | C4H4ClN3 |
| Durchschnittliche Molmasse | 129,55 g/mol |
| Monoisotopische Masse | 129,00937481 g/mol |
| SMILES | Nc1ccnc(Cl)n1 |
| InChIKey | LPBDZVNGCNTELM-UHFFFAOYSA-N |
| PubChem CID | 345752 |
| EC No. | 627-766-4 |
| DTXSID | DTXSID80323289 |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 51,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 77,7 |
| Schmelzpunkt | 197-205 °C |
| Siedepunkt | 338.8±15.0 °C(Predicted) |
| Dichte | 1.437±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 2.30±0.10(Predicted) |
| Farbe | White to Light yellow |
| InChI | InChI=1S/C4H4ClN3/c5-4-7-2-1-3(6)8-4/h1-2H,(H2,6,7,8) |
| InChIKey | LPBDZVNGCNTELM-UHFFFAOYSA-N |
| SMILES | C1(Cl)=NC=CC(N)=N1 |
| CAS Datenbank | 7461-50-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29335990 |
| R-Sätze (R) | 36/37/38-36-22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Gefahrenklasse | IRRITANT-HARMFULAcute Tox. 4 OralEye Irrit. 2 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Amino-2-chloropyrimidine is a chloropyrimidine compound, which is widely used in the synthesis of various medicines and pesticides. It can be used to transform functional groups, such as amino groups, or to remove chlorine by hydrogenolysis; chlorine can also be used to couple various carbon-carbon bonds.