HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 69280Erstellt: 4. November 2026
Glycerol 2-mononitrate
2-Nitroglycerin · glycerin2-nitrate · glycerol,2-nitrate · 2-Mononitroglycerin · 2-glycerylmononitrate · Glycerol 2-nitrate solution · 2-Mononitroglycerin solution · 1,2,3-propanetriol,2-nitrate
https://huagongshe.com/de/chemical/69280
Identifikatoren & physikalische Daten
| CAS No. | 620-12-2 |
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| Summenformel | C3H7NO5 |
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| Durchschnittliche Molmasse | 137,09 g/mol |
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| Monoisotopische Masse | 137,03242232 g/mol |
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| SMILES | O=[N+]([O-])OC(CO)CO |
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| InChIKey | QYZBMMOLPVKAPU-UHFFFAOYSA-N |
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| PubChem CID | 69280 |
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| ChEMBL | CHEMBL462931 |
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| ChEBI | CHEBI:19720 |
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| EC No. | 804-133-2 |
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| DTXSID | DTXSID80211031 |
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Chemische & physikalische Eigenschaften
| XLogP | -0,8 |
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| Polarare Oberfläche (TPSA) | 95,5 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 9 |
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| Formalladung | 0 |
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| Komplexität | 84,7 |
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| Schmelzpunkt | 54°C |
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| Siedepunkt | 251.89°C (rough estimate) |
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| Dichte | 1.4000 |
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| Brechungsindex | 1.4698 (estimate) |
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| Flammpunkt | 2℃ |
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| Lagerbedingungen | -20°C |
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| Löslichkeit | Acetonitrile (Soluble) |
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| Aggregatzustand | Colourless Solution |
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| pKa (Säurekonstante) | 13.19±0.10(Predicted) |
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| Hauptanwendungen | pharmaceutical (small molecule) |
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| InChI | 1S/C3H7NO5/c5-1-3(2-6)9-4(7)8/h3,5-6H,1-2H2 |
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| InChIKey | QYZBMMOLPVKAPU-UHFFFAOYSA-N |
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| SMILES | OCC(CO)O[N+]([O-])=O |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Wassergefährdungsklasse (WGK) | 2 |
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| UN-Transportnummer | UN 1648 3 / PGII |
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| Zollcode | 2920900002 |
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| R-Sätze (R) | 11-20/21/22-36 |
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| Gefahrensymbole | F,Xn |
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| Sicherheitshinweise (S) | 16-36/37 |
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| Lagerklasse | 3 - Flammable liquids |
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| Gefahrenklasse | Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 2 |
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