HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 69114Erstellt: 27. Oktober 2026
1,2-Dihydro-2-oxonicotinsure
Hydroxynicotinic acid · 2-Oxo-1,2-dihydropyridine-3-carboxylic acid · NSC 226152 · 2-Hydroxy acid · 2 - hydroxy niacin · 2-Hydroxynicotinic · TIMTEC-BB SBB004180 · 3-Carboxy-2-pyridone
https://huagongshe.com/de/chemical/69114
Identifikatoren & physikalische Daten
| CAS No. | 609-71-2 |
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| Summenformel | C6H5NO3 |
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| Durchschnittliche Molmasse | 139,11 g/mol |
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| Monoisotopische Masse | 139,02694302 g/mol |
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| SMILES | O=C(O)c1ccc[nH]c1=O |
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| InChIKey | UEYQJQVBUVAELZ-UHFFFAOYSA-N |
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| PubChem CID | 69114 |
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| ChEMBL | CHEMBL53297 |
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| ChEBI | CHEBI:166572 |
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| EC No. | 210-198-2 |
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| DTXSID | DTXSID20209735 |
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| Lokaler Name | 1,2-Dihydro-2-oxonicotinsure |
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Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
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| Polarare Oberfläche (TPSA) | 66,4 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 239 |
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| Physical Description | Solid |
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| Schmelzpunkt | 258-261 °C(lit.) |
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| Siedepunkt | 255.04°C (rough estimate) |
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| Dichte | 1.4429 (rough estimate) |
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| Brechungsindex | 1.5423 (estimate) |
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| Lagerbedingungen | Inert atmosphere,Room Temperature |
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| Löslichkeit | 0.1 M NaOH: 0.1 g/mL, clear |
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| pKa (Säurekonstante) | 2.40±0.20(Predicted) |
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| Aggregatzustand | Powder |
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| Farbe | White to light yellow |
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| BRN | 119028 |
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| InChI | InChI=1S/C6H5NO3/c8-5-4(6(9)10)2-1-3-7-5/h1-3H,(H,7,8)(H,9,10) |
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| InChIKey | UEYQJQVBUVAELZ-UHFFFAOYSA-N |
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| SMILES | C1(=O)NC=CC=C1C(O)=O |
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| CAS Datenbank | 609-71-2(CAS DataBase Reference) |
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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 48 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | 3-Pyridinecarboxylic acid, 1,2-dihydro-2-oxo-: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29333990 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36-37/39 |
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| Gefahrenklasse | IRRITANT |
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| Lagerklasse | 11 - Combustible Solids |
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