1-Methyl-3,5-dinitro-1H-pyridin-2-one

HCID 3621236

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 14150-94-8
Standard-SMILES: Cn1cc([N+](=O)[O-])cc([N+](=O)[O-])c1=O
InChIKey: QARVELJVEBLWGK-UHFFFAOYSA-N
Summenformel: C6H5N3O5
Durchschnittliche Molmasse: 199,12 g/mol
Monoisotopische Masse: 199,02292027

Namen und Bezeichner

Bevorzugter Name: 1-Methyl-3,5-dinitro-1H-pyridin-2-one
IUPAC: 1-methyl-3,5-dinitropyridin-2-one
Englischer Name: 1-Methyl-3,5-dinitro-1H-pyridin-2-one
Summenformel: C6H5N3O5
Molmasse: 199.12

Namen und Synonyme

14150-94-81-METHYL-3,5-DINITRO-1H-PYRIDIN-2-ONEDTXSID10394381RefChem:231698DTXCID00345241627-174-61-Methyl-3,5-dinitropyridin-2(1H)-one1-methyl-3,5-dinitro-1,2-dihydropyridin-2-one2(1H)-Pyridinone, 1-methyl-3,5-dinitro-1-methyl-3,5-dinitropyridin-2-oneMFCD004562801-methyl-3,5-dinitro-pyridin-2-one

Weitere Namen anzeigen

Atogepant Impurity 141-Methyl-3,5-dinitro-1H-p...1-Methyl-3,5-dinitropyridine-21-Methyl-3,5-dinitro-2-pyridine1-Methyl-3,5-dinitro-2-pyridinone

1-Methyl-3,5-dinitro-2-pyridone1-methyl-3,5-dinitropyridine-2(1H)-one3,5-Dinitro-1-Methyl-2-Pyridone1-methyl-3,5-dinitro-2(1H)-PyridinoneSCHEMBL3972351-methyl-3,5-dinitro-pyridoneQARVELJVEBLWGK-UHFFFAOYSA-NALBB-030438

Datenbank-Bezeichner

CAS: 14150-94-8
PubChem CID: 3621236
DTXSID: DTXSID10394381
EC Number: 627-174-6
Nikkaji: J343.810D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0
Polarare Oberfläche (TPSA): 112 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 0
Schwere Atome: 14
Formalladung: 0
Komplexität: 372

Physikochemische Eigenschaften

Schmelzpunkt: 174 · 174-178℃
Siedepunkt: 289.5 · 289.5±40.0 °C(Predicted)
Dichte: 1.6 · 1.60
storage temp.: 0 · Store at 0-8℃
pka: -8.36 · -8.36±0.62(Predicted)
Aggregatzustand: powder to crystal
Farbe: Light orange to Yellow to Green
InChI: InChI=1S/C6H5N3O5/c1-7-3-4(8(11)12)2-5(6(7)10)9(13)14/h2-3H,1H3
InChIKey: QARVELJVEBLWGK-UHFFFAOYSA-N
SMILES: C1(=O)N(C)C=C([N+]([O-])=O)C=C1[N+]([O-])=O

Sicherheit und Regulatorisches

Sicherheitsdaten

wgk: 3
hs_code: 2933399990
risk_code: 22
hazard_code: Xn
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 Oral

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden1-Methyl-3,5-dinitro-1H-pyridin-2-one can be used as an organic synthesis intermediate involved in the efficient synthesis of nitrocyclic ether[b]pyridine. It is also a nucleophilic reagent. It reacts with primary amines to produce carbamates in an efficient way without using reducing agents. The electronic defects of the pyridine cation allow this nucleophilic attack.