HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 34228Erstellt: 27. Oktober 2026
Pyridin-4-essigsure
2-(Pyridin-4-yl)acetic acid · 4-Pyridinoacetic acid · 4-Pyridinylacetic acid · Pyridin-4-ylacetic acid · 2-pyridin-4-ylaceticaci · 2-(4-pyridyl)acetic acid · 4-PYRIDYLACETIC ACID 99% · 4-Pyridylacetic acid ,98%
https://huagongshe.com/de/chemical/34228
Identifikatoren & physikalische Daten
| CAS No. | 28356-58-3 |
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| Summenformel | C7H7NO2 |
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| Durchschnittliche Molmasse | 137,14 g/mol |
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| Monoisotopische Masse | 137,04767846 g/mol |
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| SMILES | O=C(O)Cc1ccncc1 |
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| InChIKey | PAEXAIBDCHBNDC-UHFFFAOYSA-N |
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| PubChem CID | 34228 |
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| ChEMBL | CHEMBL1801805 |
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| EC No. | 248-990-5 |
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| DTXSID | DTXSID1067382 |
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| Lokaler Name | Pyridin-4-essigsure |
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Chemische & physikalische Eigenschaften
| XLogP | 0 |
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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 | 10 |
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| Formalladung | 0 |
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| Komplexität | 119 |
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| Schmelzpunkt | 139-141 C |
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| Siedepunkt | 303.8±17.0 °C(Predicted) |
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| Dichte | 1.245±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
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| Aggregatzustand | solid |
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| pKa (Säurekonstante) | 3.04±0.10(Predicted) |
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| Farbe | White |
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| InChI | InChI=1S/C7H7NO2/c9-7(10)5-6-1-3-8-4-2-6/h1-4H,5H2,(H,9,10) |
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| InChIKey | PAEXAIBDCHBNDC-UHFFFAOYSA-N |
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| SMILES | C1=NC=CC(CC(O)=O)=C1 |
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| CAS Datenbank | 28356-58-3(CAS DataBase Reference) |
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| EPA chemische Informationen | 4-Pyridineacetic acid (28356-58-3) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (33.3%) |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 2933399990 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36 |
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