HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 76490Erstellt: 27. Oktober 2026
5-Nitropyrimidin-2-amin
5-nitropyrimidin-2-amine · Enheptin P · TIMTEC-BB SBB004166 · 2-AMINO-5-NITROPRIDINE · 5-Nitro-2-pyrimidinamine · 5-Nitro-2-aminopyrimidine · 2-AMINO-5-NITROPYRIMIDINE · 2-Pyrimidinamine, 5-nitro-
https://huagongshe.com/de/chemical/76490
Identifikatoren & physikalische Daten
| CAS No. | 3073-77-6 |
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| Summenformel | C4H4N4O2 |
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| Durchschnittliche Molmasse | 140,1 g/mol |
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| Monoisotopische Masse | 140,03342537 g/mol |
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| SMILES | Nc1ncc([N+](=O)[O-])cn1 |
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| InChIKey | SSHFCFRJYJIJDV-UHFFFAOYSA-N |
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| PubChem CID | 76490 |
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| EC No. | 221-348-1 |
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| DTXSID | DTXSID00184753 |
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| Lokaler Name | 5-Nitropyrimidin-2-amin |
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Chemische & physikalische Eigenschaften
| XLogP | -0,3 |
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| Polarare Oberfläche (TPSA) | 97,6 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 126 |
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| Schmelzpunkt | 235-237 °C(lit.) |
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| Siedepunkt | 256.57°C (rough estimate) |
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| Dichte | 1.5799 (rough estimate) |
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| Brechungsindex | 1.8010 (estimate) |
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| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
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| Löslichkeit | soluble in Dimethylformamide |
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| Aggregatzustand | Fine Crystalline Powder |
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| pKa (Säurekonstante) | 0.04±0.10(Predicted) |
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| Farbe | Light yellow |
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| InChI | 1S/C4H4N4O2/c5-4-6-1-3(2-7-4)8(9)10/h1-2H,(H2,5,6,7) |
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| InChIKey | SSHFCFRJYJIJDV-UHFFFAOYSA-N |
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| SMILES | Nc1ncc(cn1)[N+]([O-])=O |
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| CAS Datenbank | 3073-77-6(CAS DataBase Reference) |
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| NIST chemische Informationen | 2-Amino-5-nitropyrimidine(3073-77-6) |
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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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29335990 |
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| R-Sätze (R) | 36/37/38-20/21/22 |
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| Gefahrensymbole | Xi,Xn |
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| Sicherheitshinweise (S) | 26-37/39-36 |
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| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 11 - Combustible Solids |
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