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HCID 853178Erstellt: 27. Oktober 2026
2,6-Dimethoxypyridine-3-carboxylic acid
2,6-DIMETHOXYNICOTINIC ACID · Albb-006221 · 2,6-Dimethoxypyridine-3-carboxylic · 2,6-Dimethoxypyridine-3-carboxylicaci · 2,6-dimethoxypyridine-3-carboxylic acid · 3-Pyridinecarboxylic acid, 2,6-dimethoxy- · 2,6-Dimethoxypyridine-3-carboxylic acid 99% · 2,6-Dimethoxypyridine-3-carboxylic acid ISO 9001：2015 REACH
https://huagongshe.com/de/chemical/853178
Identifikatoren & physikalische Daten
| CAS No. | 16727-43-8 |
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| Summenformel | C8H9NO4 |
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| Durchschnittliche Molmasse | 183,16 g/mol |
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| Monoisotopische Masse | 183,05315777 g/mol |
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| SMILES | COc1ccc(C(=O)O)c(OC)n1 |
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| InChIKey | SDJQZCSCHUIITF-UHFFFAOYSA-N |
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| PubChem CID | 853178 |
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| ChEMBL | CHEMBL1388059 |
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| EC No. | 605-471-1 |
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| DTXSID | DTXSID10357411 |
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Chemische & physikalische Eigenschaften
| XLogP | 1 |
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| Polarare Oberfläche (TPSA) | 68,7 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 185 |
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| Löslichkeit | >27.5 [ug/mL] (The mean of the results at pH 7.4) |
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| Schmelzpunkt | 140-144 °C (lit.) |
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| Siedepunkt | 293.1±35.0 °C(Predicted) |
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| Dichte | 1.279±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Inert atmosphere,Room Temperature |
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| Aggregatzustand | Crystalline Powder |
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| pKa (Säurekonstante) | 3.63±0.10(Predicted) |
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| Farbe | White to pale yellow |
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| InChI | 1S/C8H9NO4/c1-12-6-4-3-5(8(10)11)7(9-6)13-2/h3-4H,1-2H3,(H,10,11) |
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| InChIKey | SDJQZCSCHUIITF-UHFFFAOYSA-N |
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| SMILES | COc1ccc(C(O)=O)c(OC)n1 |
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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 41 reports by companies from 4 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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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-37/39 |
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| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 11 - Combustible Solids |
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Anwendungen & Verwendung
Verwenden
2,6-Dimethoxypyridine-3-carboxylic acid (2,6-dimethoxynicotinic acid, DMPH) may be used in the preparation of novel benzothiazolo naphthyridone carboxylic acid derivatives. It may be used in the preparation of following complexes, via reaction with different precursors [Ti(η5-C5H5)2Cl2], [Ti(η5-C5H4Me)2Cl2], [Ti(η5-C5H4SiMe3)(η5-C5H5)Cl2], [Ti(η5-C5Me5)Cl3], SnMe3Cl and GatBu3:[Ti(η5-C5H5)2(DMP-κO)2][Ti(η5-C5H4Me)2(DMP-κO)2] [Ti(η5-C5H4SiMe3)(η5-C5H5)(DMP-κO)2[Ti(η5-C5Me5)(DMP-κ2O,O′)3] [SnMe3(μ-DMP-κO:κO′)]∞[GatBu2(μ-DMP-κO:κO′)]2
