Methyl 6-oxo-1,6-dihydropyridine-3-carboxylate
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Grundinformationen
- CAS
66171-50-4- Standard-SMILES
COC(=O)c1ccc(=O)[nH]c1- InChIKey
JTVVPKLHKMKWNN-UHFFFAOYSA-N- Summenformel
- C7H7NO3
- Durchschnittliche Molmasse
- 153,14 g/mol
- Monoisotopische Masse
- 153,04259309
Namen und Bezeichner
- Bevorzugter Name
- Methyl 6-oxo-1,6-dihydropyridine-3-carboxylate
- IUPAC
- methyl 6-oxo-1H-pyridine-3-carboxylate
- Englischer Name
- METHYL 6-OXO-1,6-DIHYDRO-3-PYRIDINECARBOXYLATE
- Summenformel
- C7H7NO3
- Molmasse
- 153.14
Namen und Synonyme
methyl 6-oxo-1,6-dihydropyridine-3-carboxylateRefChem:817445676-243-7methyl 6-hydroxynicotinate66171-50-46-hydroxynicotinic acid methyl ester6-Hydroxy-nicotinic acid methyl estermethyl 6-oxo-1,6-dihydro-3-pyridinecarboxylatemethyl 6-oxo-1H-pyridine-3-carboxylatemethyl 6-hydroxypyridine-3-carboxylateMFCD084360113-Pyridinecarboxylic acid, 1,6-dihydro-6-oxo-, methyl ester
Weitere Namen anzeigen
Nicorandil Impurity PMethyl6-hydroxynicotinate98%Methyl6-Hydroxynicotinate>Methyl 6-hydroxynicotinate 98%6-Hydroxynicotinate Methyl esterMethylpyridin-2-one-5-carboxylate5-METHOXYCARBONYL-2(1H)-PYRIDINONE
METHYL 2-HYDROXY-5-PYRIDINECARBOXYLATE6-OXO-1,6-DIHYDROPYRIDINE-3-CARBOXYLIC ACID METHYL ESTERMethyl 1,6-dihydro-6-oxopyridine-3-carboxylate6-Hydoxynicotinic Acid Methyl EsterCS-W005768methyl 6-hydroxy-3-pyridinecarboxylateNSC-78315Nicorandil Impurity 71
Datenbank-Bezeichner
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- -0,2
- Polarare Oberfläche (TPSA)
- 55,4 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 252
Physikochemische Eigenschaften
- Schmelzpunkt
- 166 · 166-170°C
- Siedepunkt
- 342.4 · 342.4±42.0 °C(Predicted)
- Dichte
- 1.263 · 1.263±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 9.99 · 9.99±0.10(Predicted)
- Aggregatzustand
- powder to crystal
- Farbe
- White to Light yellow
- InChI
- InChI=1S/C7H7NO3/c1-11-7(10)5-2-3-6(9)8-4-5/h2-4H,1H3,(H,8,9)
- InChIKey
- JTVVPKLHKMKWNN-UHFFFAOYSA-N
- SMILES
- C1NC(=O)C=CC=1C(OC)=O
- CAS Datenbank
- 66171 · 66171-50-4(CAS DataBase Reference)
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 (80%): 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 5 reports by companies from 5 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 (80%)
Sicherheitsdaten
- hs_code
- 2933399990
- hazard_code
- Xi
- hazard_note
- Irritant/Keep Cold
- hazard_class
- IRRITANT
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