HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
6-Methoxypyridine-3-carbaldehyde
6-METHOXY-PYRIDINE-3-CARBALDEHYDE · 6-METHOXYNICOTINALDEHYDE · 6-Methxoynicotinaldehyde · 3-FORMYL-6-METHOXYPYRIDINE · 5-FORMYL-2-METHOXYPYRIDINE · 6-METHOXY-3-NICOTINALDEHYDE · 6-Methoxy-3-pyridinecarbaldehyde · 6-METHOXY-3-PYRIDINECARBOXALDEHYDE
Identifikatoren & physikalische Daten
| CAS No. | 65873-72-5 |
|---|---|
| Summenformel | C7H7NO2 |
| Durchschnittliche Molmasse | 137,14 g/mol |
| Monoisotopische Masse | 137,04767846 g/mol |
| SMILES | COc1ccc(C=O)cn1 |
| InChIKey | CTAIEPPAOULMFY-UHFFFAOYSA-N |
| PubChem CID | 3364576 |
| EC No. | 627-354-4 |
| DTXSID | DTXSID90391833 |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 39,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 116 |
| Schmelzpunkt | 51-54 °C (lit.) |
| Siedepunkt | 65-70 °C(Press: 12 Torr) |
| Dichte | 1.159±0.06 g/cm3(Predicted) |
| Flammpunkt | 225 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| pKa (Säurekonstante) | 1.60±0.10(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | Off-white to light yellow |
| Löslichkeit | insoluble |
| InChI | InChI=1S/C7H7NO2/c1-10-7-3-2-6(5-9)4-8-7/h2-5H,1H3 |
| InChIKey | CTAIEPPAOULMFY-UHFFFAOYSA-N |
| SMILES | C1=NC(OC)=CC=C1C=O |
| CAS Datenbank | 65873-72-5(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 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 31-01-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30502 |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
An intermediate for the synthesis of the somatostatic sst3 receptor.