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2,6-Dichlorpyrimidin-4-amin
2,6-DICHLOROPYRIMIDIN-4-AMINE · Tofacitib impurity 33 · Tofacitinib Impurity 151 · 2,6-dichlorpyrimidin-4-amin · 2,6-dichloro-4-pyrimidinamin · 2,6-Dichloro-4-pyrimidinamine · 2,6-Dichloropyrimidine-4-amine · 2,6-Dichloro-4-aminopyrimidine
Identifikatoren & physikalische Daten
| CAS No. | 10132-07-7 |
|---|---|
| Summenformel | C4H3Cl2N3 |
| Durchschnittliche Molmasse | 163,99 g/mol |
| Monoisotopische Masse | 162,97040246 g/mol |
| SMILES | Nc1cc(Cl)nc(Cl)n1 |
| InChIKey | UPVBKNZVOJNQKE-UHFFFAOYSA-N |
| PubChem CID | 82387 |
| EC No. | 233-369-3 |
| DTXSID | DTXSID0064961 |
| Lokaler Name | 2,6-Dichlorpyrimidin-4-amin |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 51,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 99,8 |
| SpringerMaterials Properties | Crystal structure |
| Schmelzpunkt | 258-267 °C |
| Siedepunkt | 323.5±22.0 °C(Predicted) |
| Dichte | 1.606±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | -0.86±0.10(Predicted) |
| Aggregatzustand | Powder or Crystalline Powder |
| Farbe | White to pale brown |
| Löslichkeit | Slightly soluble in water. |
| InChI | InChI=1S/C4H3Cl2N3/c5-2-1-3(7)9-4(6)8-2/h1H,(H2,7,8,9) |
| InChIKey | UPVBKNZVOJNQKE-UHFFFAOYSA-N |
| SMILES | C1(Cl)=NC(Cl)=CC(N)=N1 |
| CAS Datenbank | 10132-07-7(CAS DataBase Reference) |
| EPA chemische Informationen | 4-Pyrimidinamine, 2,6-dichloro- (10132-07-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (87.2%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (87.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29333999 |
| R-Sätze (R) | 22-36/37/38-20/21/22 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
It is used in the Suzuki coupling of 5-chloro-2-methoxyphenyl boronic acid with 4-amino-2,6-dichloropyrimidine yielded aminochloropyrimidine.