HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 795544Erstellt: 27. Oktober 2026
2-(Dimethylamino)-5-pyrimidinecarbaldehyde
2-(N,N-DiMethylaMino)pyriMidine-5-carboxaldehyde · ASISCHEM C63425 · TIMTEC-BB SBB010324 · CHEMBRDG-BB 4010270 · 2-DIMETHYLAMINO-PYRIMIDINE-5-CARBALDEHYDE · 5-Pyrimidinecarboxaldehyde, 2-(dimethylamino)- · 2-(dimethylamino)pyrimidine-5-carbaldehyde(SALTDATA: FREE) · 2-DIMETHYLAMINO-PYRIMIDINE-5-CARBALDEHYDE ISO 9001：2015 REACH
https://huagongshe.com/de/chemical/795544
Identifikatoren & physikalische Daten
| CAS No. | 55551-49-0 |
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| Summenformel | C7H9N3O |
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| Durchschnittliche Molmasse | 151,17 g/mol |
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| Monoisotopische Masse | 151,07456191 g/mol |
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| SMILES | CN(C)c1ncc(C=O)cn1 |
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| InChIKey | XBYXYDVSCMMJDT-UHFFFAOYSA-N |
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| PubChem CID | 795544 |
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| EC No. | 800-577-6 |
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| DTXSID | DTXSID50355279 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
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| Polarare Oberfläche (TPSA) | 46,1 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 130 |
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| Schmelzpunkt | 122-124 °C |
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| Siedepunkt | 289.6±32.0 °C(Predicted) |
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| Dichte | 1.204±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
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| Aggregatzustand | solid |
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| pKa (Säurekonstante) | 2.27±0.10(Predicted) |
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| InChI | InChI=1S/C7H9N3O/c1-10(2)7-8-3-6(5-11)4-9-7/h3-5H,1-2H3 |
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| InChIKey | XBYXYDVSCMMJDT-UHFFFAOYSA-N |
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| SMILES | C1(N(C)C)=NC=C(C=O)C=N1 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (33.3%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 2933599590 |
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| R-Sätze (R) | 22-43 |
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| Gefahrensymbole | Xi,Xn |
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| Gefahrenklasse | IRRITANTAcute Tox. 4 Oral |
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| Lagerklasse | 11 - Combustible Solids |
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