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Tetrachlorpyrimido[5,4-d]pyrimidin
Nsc96654 · Dipyridamole Impurity 9 · tetrachloropyrimidopyrimidine · Perchloropyrimido[5,4-d]pyrimidine · tetrachloropyrimido[5,4-d]pyrimidine · Pyrimido[5,4-d]Pyrimidine Impurity 2 · Pyrimido[5,4-D]pyrimidine, tetrachloro- · 2,4,6,8-Tetrachloropyrimido[5,4-d]pyrimidine
![Molekülstruktur von Tetrachlorpyrimido[5,4-d]pyrimidin](/img/chemical/97007.png)
Identifikatoren & physikalische Daten
| CAS No. | 32980-71-5 |
|---|---|
| Summenformel | C6Cl4N4 |
| Durchschnittliche Molmasse | 269,9 g/mol |
| Monoisotopische Masse | 267,887707 g/mol |
| SMILES | Clc1nc(Cl)c2nc(Cl)nc(Cl)c2n1 |
| InChIKey | QNKFHUMDHRWWES-UHFFFAOYSA-N |
| PubChem CID | 97007 |
| ChEMBL | CHEMBL363331 |
| EC No. | 251-318-3 |
| DTXSID | DTXSID20186618 |
| Lokaler Name | Tetrachlorpyrimido[5,4-d]pyrimidin |
Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 51,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 196 |
| Schmelzpunkt | 254-258 °C |
| Siedepunkt | 335.1±42.0 °C(Predicted) |
| Dichte | 1.871±0.06 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Löslichkeit | DMSO (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | -3.88±0.30(Predicted) |
| Farbe | Pale Yellow to Light Beige |
| Stabilität | Moisture Sensitive |
| CAS Datenbank | 32980-71-5 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Zollcode | 2933.99.9701 |
| R-Sätze (R) | 36/37/38 |
| Sicherheitshinweise (S) | 26-36/37/39 |
Anwendungen & Verwendung
Verwenden
Potential tyrosine kinase signal transduction inhibitor. A pyrimido[5,4-d]pyrimidine derivative used as an intermediate in the preparation of nucleoside transporter 1 inhibitors and potential modulators of the activity of antimetabolite antitumor agents.