2,3-Dimethyl-4-nitropyridine-N-oxide

HCID 148223CAS 37699-43-7

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Grundinformationen

Standard-SMILES: Cc1c([N+](=O)[O-])cc[n+]([O-])c1C
InChIKey: CFMTVTYBZMKULI-UHFFFAOYSA-N
Summenformel: C7H8N2O3
Durchschnittliche Molmasse: 168,15 g/mol
Monoisotopische Masse: 168,05349212

Namen und Bezeichner

Bevorzugter Name: 2,3-Dimethyl-4-nitropyridine-N-oxide
IUPAC: 2,3-dimethyl-4-nitro-1-oxidopyridin-1-ium
Englischer Name: 4-Nitro-2,3-lutidine-N-oxide
Summenformel: C7H8N2O3
Molmasse: 168.15

Namen und Synonyme

37699-43-72,3-Dimethyl-4-nitropyridine 1-oxide2,3-Dimethyl-4-nitropyridine N-Oxide2,3-Dimethyl-4-nitropyridine-N-oxidePyridine, 2,3-dimethyl-4-nitro-, 1-oxide4-Nitro-2,3-lutidine N-oxide2,3-dimethyl-4-nitropyridin-1-ium-1-olate2,3-dimethyl-4-nitro-1-oxidopyridin-1-iumBRN 1569438V7T97WM6BADTXSID50191134DIMETHYL-4-NITROPYRIDINE 1-OXIDE, 2,3-

Weitere Namen anzeigen

4-NITRO-2,3-DIMETHYLPYRIDINE N-OXIDE4-Nitro-2,3-lutidineLansoprazole Impurit HLansoprazole Impurit 9ansoprazole Impurity 23Lansoprazole Impurity 374-Nitro Lutidine N-oxideLansoprazole Nitro Compound

RefChem:442494DTXCID60113625609-469-14-Nitro-2,3-lutidine-N-oxideLansoprazole Impurity 212,3-dimethyl-4-nitro-1-oxido-pyridin-1-iumMFCD00065172Lansoprazole Nitro Impurity

Datenbank-Bezeichner

CAS: 37699-43-7
PubChem CID: 148223
DTXSID: DTXSID50191134
UNII: V7T97WM6BA
EC Number: 609-469-1
Nikkaji: J66.597E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 71,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 180

Physikochemische Eigenschaften

Schmelzpunkt: 94 · 94-98 °C (lit.)
Siedepunkt: 297.07 °C · 297.07°C (rough estimate)
Dichte: 1.3722 · 1.3722 (rough estimate)
Brechungsindex: 1.52 · 1.5200 (estimate)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Powder or Crystalline Powder
pka: -1.03 · -1.03±0.10(Predicted)
Farbe: Pale yellow to yellow
BRN: 1569438 · 1569438
InChI: InChI=1S/C7H8N2O3/c1-5-6(2)8(10)4-3-7(5)9(11)12/h3-4H,1-2H3
InChIKey: CFMTVTYBZMKULI-UHFFFAOYSA-N
SMILES: C1(C)[N+]([O-])=CC=C([N+]([O-])=O)C=1C
CAS Datenbank: 37699 · 37699-43-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (14%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, 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 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.