Grundinformationen
- CAS
7216-42-4- Standard-SMILES
O=Cc1cc[n+]([O-])cc1- InChIKey
ZAZQKVZJRMHPQP-UHFFFAOYSA-N- Summenformel
- C6H5NO2
- Durchschnittliche Molmasse
- 123,11 g/mol
- Monoisotopische Masse
- 123,0320284
Namen und Bezeichner
- Bevorzugter Name
- Isonicotinaldehyde 1-oxide
- IUPAC
- 1-oxidopyridin-1-ium-4-carbaldehyde
- Lokaler Name
- Isonicotinaldehyd-1-oxid
- Englischer Name
- 4-Pyridinecarboxaldehyde N-oxide
- Summenformel
- C6H5NO2
- Molmasse
- 123.11
Namen und Synonyme
7216-42-4Isonicotinaldehyde 1-oxide4-Pyridinecarboxaldehyde, 1-oxideEINECS 230-602-0DTXSID80222501RefChem:791920DTXCID40144992230-602-04-Pyridinecarboxaldehyde N-oxide4-Formylpyridine 1-oxide1-oxidopyridin-1-ium-4-carbaldehyde4-FORMYLPYRIDIN-1-IUM-1-OLATE
Weitere Namen anzeigen
Donepezil Impurity 244-Pyridinecarboxaldehyde N-oxide 97%
4-Pyridinecarbaldehyde 1-oxideDonepezil Impurity 42Donepezil Impurity 604-Formylpyridine1-oxideSCHEMBL195027SCHEMBL7552454-pyridine carbaldehyde-N-oxide4-pyridine-carboxaldehyde N-oxide
Datenbank-Bezeichner
- CAS
7216-42-4- PubChem CID
- 81636
- DTXSID
DTXSID80222501- EC Number
- 230-602-0
- Nikkaji
- J227.446I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,2
- Polarare Oberfläche (TPSA)
- 42,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 97
Physikochemische Eigenschaften
- Schmelzpunkt
- 150 · 150-152 °C (lit.)
- Löslichkeit
- 25 mg/mL, · methylene chloride: soluble25mg/mL, clear, colorless to yellow
- InChI
- 1S/C6H5NO2/c8-5-6-1-3-7(9)4-2-6/h1-5H
- InChIKey
- ZAZQKVZJRMHPQP-UHFFFAOYSA-N
- SMILES
- [H]C(=O)c1cc[n+]([O-])cc1
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 39 reports by companies from 2 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.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden4-Pyridinecarboxaldehyde N-Oxide is an impurity of Donepezil (D531750), a nootropic. An inhibitor of acetylcholinesterase. Also a reagent in the preparation of pyridine N-oxides.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter29 Anbieter
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
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