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HCID 10273Erstellt: 27. Oktober 2026
Pyridin-3,4-dicarbonsure
PYRIDINE-3,4-DICARBOXYLIC ACID · AKOS 92171 · Pyridine-3 · cinchomeronicaci · CINCHOMERONIC ACID · RARECHEM AL BO 1260 · Chinchomeronic acid · 4-dicarboxylic acid
https://huagongshe.com/de/chemical/10273
Identifikatoren & physikalische Daten
| CAS No. | 490-11-9 |
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| Summenformel | C7H5NO4 |
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| Durchschnittliche Molmasse | 167,12 g/mol |
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| Monoisotopische Masse | 167,02185764 g/mol |
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| SMILES | O=C(O)c1ccncc1C(=O)O |
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| InChIKey | MUYSADWCWFFZKR-UHFFFAOYSA-N |
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| PubChem CID | 10273 |
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| ChEMBL | CHEMBL261326 |
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| ChEBI | CHEBI:46860 |
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| EC No. | 207-705-4 |
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| DTXSID | DTXSID70197653 |
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| Lokaler Name | Pyridin-3,4-dicarbonsure |
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Chemische & physikalische Eigenschaften
| XLogP | -0,1 |
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| Polarare Oberfläche (TPSA) | 87,5 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 204 |
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| SpringerMaterials Properties | Crystal structure |
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| Schmelzpunkt | 262 °C (dec.) (lit.) |
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| Siedepunkt | 295.67°C (rough estimate) |
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| Dichte | 1.5216 (rough estimate) |
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| Brechungsindex | 1.6280 (estimate) |
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| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
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| Löslichkeit | 2.34g/l2.34g/L(25 ºC) |
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| Aggregatzustand | Fine Crystalline Powder |
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| pKa (Säurekonstante) | 1.00±0.10(Predicted) |
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| Farbe | White to slightly beige |
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| Merck | 14,2283 |
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| BRN | 137242 |
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| InChI | InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-3-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12) |
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| InChIKey | MUYSADWCWFFZKR-UHFFFAOYSA-N |
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| SMILES | C1=NC=CC(C(O)=O)=C1C(O)=O |
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| CAS Datenbank | 490-11-9(CAS DataBase Reference) |
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| NIST chemische Informationen | 3,4-Pyridinedicarboxylic acid(490-11-9) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2% (1 of 50) of reports.WarningH315 (98%): 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 50 reports by companies from 7 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 (98%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29333999 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36-24/25 |
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| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 11 - Combustible Solids |
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