HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4,6-Dichloro-2-methylpyrimidin-5-amine
4,6-DICHLORO-2-METHYLPYRIMIDIN-5-AMINE · TIMTEC-BB SBB003764 · 2-Methyl-4,6-dichloro-5-aminop · Methyl-4,6-dichloro-5-aminopyrimidine · 4,6-dichloro-2-methyl-5-pyrimidinamine · 5-AMINO-4,6-DICHLORO-2-METHYLPYRIMIDINE · 2-METHYL-4,6-DICHLORO-5-AMINOPYRIMIDINE · 5-Amino-4,6-Dichloro-2-Methylpytimidine
Identifikatoren & physikalische Daten
| CAS No. | 39906-04-2 |
|---|---|
| Summenformel | C5H5Cl2N3 |
| Durchschnittliche Molmasse | 178,02 g/mol |
| Monoisotopische Masse | 176,98605252 g/mol |
| SMILES | Cc1nc(Cl)c(N)c(Cl)n1 |
| InChIKey | FKRXXAMAHOGYNT-UHFFFAOYSA-N |
| PubChem CID | 736674 |
| EC No. | 419-110-9 |
| DTXSID | DTXSID60353084 |
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 | 10 |
| Formalladung | 0 |
| Komplexität | 109 |
| Schmelzpunkt | 70-73 °C (lit.) |
| Siedepunkt | 257.7±35.0 °C(Predicted) |
| Dichte | 1.504±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | -2.55±0.39(Predicted) |
| Farbe | White to Yellow to Green |
| InChI | InChI=1S/C5H5Cl2N3/c1-2-9-4(6)3(8)5(7)10-2/h8H2,1H3 |
| InChIKey | FKRXXAMAHOGYNT-UHFFFAOYSA-N |
| SMILES | C1(C)=NC(Cl)=C(N)C(Cl)=N1 |
| CAS Datenbank | 39906-04-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1.9% (1 of 54) of reports.WarningH315 (96.3%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 54 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Cease Manufacture Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/5016 |
| Hazard Classes and Categories | Skin Irrit. 2 (96.3%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29335990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
5-Amino-4,6-dichloro-2-methylpyrimidine is a useful research chemical for organic synthesis and other chemical and pharmacological processes.