HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 97489Erstellt: 26. Oktober 2026
2-Phenylnicotinsure
2-PHENYLNICOTINIC ACID · 2-Phenylnicotinsure N · 2-phenylpyridine-3-carboxylicaci · 2-Phenylpyridin-3ylcarboxylic acid · 2-PHENYL-3-PYRIDINECARBOXYLIC ACID · 2-PHENYLPYRIDINE-3-CARBOXYLIC ACID · 3-Pyridinecarboxylic acid, 2-phenyl- · 2-Phenylpyridine-3-carboxylic acid, 3-Carboxy-2-phenylpyridine
https://huagongshe.com/de/chemical/97489
Identifikatoren & physikalische Daten
| CAS No. | 33421-39-5 |
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| Summenformel | C12H9NO2 |
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| Durchschnittliche Molmasse | 199,2 g/mol |
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| Monoisotopische Masse | 199,06332853 g/mol |
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| SMILES | O=C(O)c1cccnc1-c1ccccc1 |
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| InChIKey | VLQVAEFYIADOKI-UHFFFAOYSA-N |
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| PubChem CID | 97489 |
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| ChEMBL | CHEMBL5440934 |
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| EC No. | 251-510-7 |
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| DTXSID | DTXSID80187060 |
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| Lokaler Name | 2-Phenylnicotinsure |
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Chemische & physikalische Eigenschaften
| XLogP | 2 |
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| Polarare Oberfläche (TPSA) | 50,2 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 224 |
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| Schmelzpunkt | 169 °C |
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| Siedepunkt | 357.3±22.0 °C(Predicted) |
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| Dichte | 1.241±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Inert atmosphere,Room Temperature |
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| Löslichkeit | Acetonitrile (Slightly), DMSO (Slightly), Methanol (Sparingly) |
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| Aggregatzustand | Solid |
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| pKa (Säurekonstante) | 1.46±0.10(Predicted) |
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| Farbe | White to Off-White |
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| CAS Datenbank | 33421-39-5(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%) |
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| Zollcode | 2933399990 |
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| Gefahrensymbole | Xi |
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| hazard_note | Irritant |
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