Methyl 2-oxo-1,2-dihydropyridine-3-carboxylate

HCID 579028

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Grundinformationen

CAS: 10128-91-3
Standard-SMILES: COC(=O)c1ccc[nH]c1=O
InChIKey: SILBTMNCGYLTOK-UHFFFAOYSA-N
Summenformel: C7H7NO3
Durchschnittliche Molmasse: 153,14 g/mol
Monoisotopische Masse: 153,04259308

Namen und Bezeichner

Bevorzugter Name: Methyl 2-oxo-1,2-dihydropyridine-3-carboxylate
IUPAC: methyl 2-oxo-1H-pyridine-3-carboxylate
Englischer Name: Methyl 2-oxo-1,2-dihydro-3-pyridinecarboxylate
Summenformel: C7H7NO3
Molmasse: 153.14

Namen und Synonyme

methyl 2-oxo-1,2-dihydropyridine-3-carboxylateRefChem:814572692-281-7methyl 2-hydroxynicotinate10128-91-3Methyl 2-oxo-1,2-dihydro-3-pyridinecarboxylate67383-31-7methyl 2-hydroxypyridine-3-carboxylatemethyl 2-oxo-1H-pyridine-3-carboxylateMFCD00661282MFCD082750552-Hydroxy-nicotinic acid methyl ester

Weitere Namen anzeigen

SPECS AE-508/36398048Methyl2-hydroxynicotinate,97%Methyl 6-hydroxypyridin-3-carboxylate1,2-Dihydro-3-(methoxycarbonyl)-2-oxopyridineMethyl 2-oxo-l,2-dihydropyridine-3-carboxylateMethyl 1,2-dihydro-2-oxopyridine-3-carboxylateMETHYL 2-OXO-1,2-DIHYDRO-3-PYRIDINECARBOXYLATE ISO 9001：2015 REACH

2-hydroxynicotinic acid methyl ester3-Pyridinecarboxylic acid, 1,2-dihydro-2-oxo-, methyl esterSCHEMBL107721DTXSID40906037AKOS005070599AKOS006241744CS-W007840AB44640

Datenbank-Bezeichner

CAS: 10128-91-3
PubChem CID: 579028
DTXSID: DTXSID40906037
EC Number: 692-281-7
Nikkaji: J496.406C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,3
Polarare Oberfläche (TPSA): 55,4 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 252

Physikochemische Eigenschaften

Schmelzpunkt: 115 · 115-118°C
Siedepunkt: 367.6 · 367.6±42.0 °C(Predicted)
Dichte: 1.263 · 1.263±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: 10.07 · 10.07±0.10(Predicted)
Aggregatzustand: Solid
Farbe: Cream

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

Sicherheitsdaten

hs_code: 2933399990
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen

VerwendenMethyl 2-oxo-1,2-dihydro-3-pyridinecarboxylate is a crucial compound that could be used as a pharmaceutical intermediate in pharmaceutical synthesis and scientific research.