HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-chloro-7H-pyrrolo(2,3-d)pyrimidin-2-amine
4-CHLORO-7H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE · 6-CHLORO-7-DEAZAGUANINE · 2-amino-6-chloro-7-deazapurine · 3-d]pyriMidin-2-aMine · 2-Amino-4-Chloro-7H-pyrro... · -Amino-4-chloropyrrolo[2,3-d]pyrimidine · 2-Amino-4-chloropyrrolo[2,3-d]pyrimidine · 4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-2-ylam
Identifikatoren & physikalische Daten
| CAS No. | 84955-31-7 |
|---|---|
| Summenformel | C6H5ClN4 |
| Durchschnittliche Molmasse | 168,58 g/mol |
| Monoisotopische Masse | 168,02027384 g/mol |
| SMILES | Nc1nc(Cl)c2cc[nH]c2n1 |
| InChIKey | VIVLSUIQHWGALQ-UHFFFAOYSA-N |
| PubChem CID | 5324413 |
| ChEMBL | CHEMBL4079705 |
| EC No. | 640-149-4 |
| DTXSID | DTXSID30415906 |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 67,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 154 |
| Schmelzpunkt | 215-217°C |
| Siedepunkt | 346.6±52.0 °C(Predicted) |
| Dichte | 1.82±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly, Sonicated) |
| pKa (Säurekonstante) | 10.68±0.20(Predicted) |
| Aggregatzustand | Powder |
| Farbe | Pale yellow to yellow |
| Stabilität | Hygroscopic |
| InChI | InChI=1S/C6H5ClN4/c7-4-3-1-2-9-5(3)11-6(8)10-4/h1-2H,(H3,8,9,10,11) |
| InChIKey | VIVLSUIQHWGALQ-UHFFFAOYSA-N |
| SMILES | C1(N)=NC(Cl)=C2C=CNC2=N1 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Eye Irrit. 2A (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2933998090 |
| R-Sätze (R) | 36 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
6-Chloro-7-deazaguanine (cas# 84955-31-7) is a compound useful in organic synthesis.