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4,6-Dichlorpyrimidin-2-ylamin
4,6-DICHLOROPYRIMIDIN-2-AMINE · ADCP · 2-PYRIMIDINAMINE, 4,6-DICHLORO- · py11 · AKOS 90013 · oropyrimidine · 2-Amino-4,6-dichL · TIMTEC-BB SBB003919
Identifikatoren & physikalische Daten
| CAS No. | 56-05-3 |
|---|---|
| Summenformel | C4H3Cl2N3 |
| Durchschnittliche Molmasse | 163,99 g/mol |
| Monoisotopische Masse | 162,97040246 g/mol |
| SMILES | Nc1nc(Cl)cc(Cl)n1 |
| InChIKey | JPZOAVGMSDSWSW-UHFFFAOYSA-N |
| PubChem CID | 65522 |
| ChEMBL | CHEMBL3188288 |
| EC No. | 200-253-9 |
| DTXSID | DTXSID2049420 |
| Lokaler Name | 4,6-Dichlorpyrimidin-2-ylamin |
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 | 89,8 |
| SpringerMaterials Properties | Crystal structure |
| Schmelzpunkt | 219-222 °C (lit.) |
| Siedepunkt | 219-222°C |
| Dichte | 1.6662 (rough estimate) |
| Brechungsindex | 1.6300 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 0.14±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to light yellow |
| Löslichkeit | Insoluble in water, soluble in acetone, two monomer (VCM) and thermal toluene. |
| BRN | 118454 |
| InChI | InChI=1S/C4H3Cl2N3/c5-2-1-3(6)9-4(7)8-2/h1H,(H2,7,8,9) |
| InChIKey | JPZOAVGMSDSWSW-UHFFFAOYSA-N |
| SMILES | C1(N)=NC(Cl)=CC(Cl)=N1 |
| CAS Datenbank | 56-05-3(CAS DataBase Reference) |
| EPA chemische Informationen | 2-Pyrimidinamine, 4,6-dichloro- (56-05-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 52 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29335995 |
| RTECS-Nr. | UV6260485 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-24/25 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Microwave-assisted synthesis of pyrazolo [3, 4-d] pyrimidines from 2-amino-4, 6-dichloropyrimidine-5-carbaldehyde is under solvent-free conditions. A series of 6-alkynyl-2,4-diaminopyrimidine derivatives bearing various substituents at alkynyl moiety was prepared by the Sonogashira cross-coupling reaction of 2,4-diamino-6-iodopyrimidine using Pd(PPh3)2Cl2 as catalyst.