HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 233243Erstellt: 25. Oktober 2026
3-(Pyridin-4-yl)propanoic acid
CHEMBRDG-BB 4004170 · 4-Pyridinepropionic acid · 4-PYRIDINEPROPANOIC ACID · 4?Pyridyl?3?propanoic acid · 3-(4-PYRIDYL)PROPANOIC ACID · 3-(4-Pyridyl)propionic acid · 3-(4-PYRIDINYL)PROPANOIC ACID · 3-(4-pyridinyl)propionic acid
https://huagongshe.com/de/chemical/233243
Identifikatoren & physikalische Daten
| CAS No. | 6318-43-0 |
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| Summenformel | C8H9NO2 |
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| Durchschnittliche Molmasse | 151,16 g/mol |
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| Monoisotopische Masse | 151,06332853 g/mol |
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| SMILES | O=C(O)CCc1ccncc1 |
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| InChIKey | WSXGQYDHJZKQQB-UHFFFAOYSA-N |
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| PubChem CID | 233243 |
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| EC No. | 675-337-5 |
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| DTXSID | DTXSID70283449 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
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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 | 3 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 130 |
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| Ionization Efficiency | Positive3.652.7Agilent XCTElectrospray ionizationformic acid (5.3nM) |
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| Schmelzpunkt | 231℃ |
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| Siedepunkt | 311.9±17.0 °C(Predicted) |
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| Dichte | 1.193±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Inert atmosphere,Room Temperature |
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| Aggregatzustand | solid |
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| pKa (Säurekonstante) | 4.20±0.10(Predicted) |
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| Farbe | White |
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| InChI | 1S/C8H9NO2/c10-8(11)2-1-7-3-5-9-6-4-7/h3-6H,1-2H2,(H,10,11) |
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| InChIKey | WSXGQYDHJZKQQB-UHFFFAOYSA-N |
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| SMILES | OC(=O)CCc1ccncc1 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (97.6%): 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)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.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
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| Hazard Classes and Categories | Skin Irrit. 2 (97.6%)Eye Irrit. 2A (97.6%) |
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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 |
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| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2 |
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| Lagerklasse | 11 - Combustible Solids |
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