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3-Pyridylacrylsaeure
3-(3-PYRIDYL)ACRYLIC ACID · Pyridine-3-acrylic acid · AKOS AUF2066 · RARECHEM BK HC S246 · 3-Pyridineacrylicaci · 3-PYRIDYLACRYLIC ACID · 3-PYRIDINEACRYLIC ACID · 3-Pyridylpropionic acid
Identifikatoren & physikalische Daten
| CAS No. | 1126-74-5 |
|---|---|
| Summenformel | C8H7NO2 |
| Durchschnittliche Molmasse | 149,15 g/mol |
| Monoisotopische Masse | 149,04767846 g/mol |
| SMILES | O=C(O)C=Cc1cccnc1 |
| InChIKey | VUVORVXMOLQFMO-UHFFFAOYSA-N |
| PubChem CID | 101984 |
| EC No. | 214-424-0 |
| DTXSID | DTXSID30862557 |
| Lokaler Name | 3-Pyridylacrylsaeure |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 50,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 165 |
| Polymers | Plastics & Rubber -> (Meth)acrylates |
| Physical Description | White to beige crystalline powder[Acros Organics MSDS] |
| Schmelzpunkt | 232-235 °C (dec.)(lit.) |
| Siedepunkt | 270.21°C (rough estimate) |
| Dichte | 1.2517 (rough estimate) |
| Brechungsindex | 1.5320 (estimate) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly, Heated) |
| pKa (Säurekonstante) | 3.13±0.10(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White |
| InChI | InChI=1S/C8H7NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h1-6H,(H,10,11) |
| InChIKey | VUVORVXMOLQFMO-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C=CC1=CC=CN=C1 |
| CAS Datenbank | 1126-74-5(CAS DataBase Reference) |
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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | A reactive monomer that gradually polymerizes at room temperatureAn irritant[Acros Organics MSDS] See ACRYLIC RESINS (MONOMERS). |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29333990 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36-37/39-36/37/39 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
3-Pyridineacrylic Acid is an inhibitor of peptidylglycine amidating monooxygenase.