4-Chloro-2,3-dimethyl-1-oxidopyridin-1-ium

HCID 9877446CAS 59886-90-7

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Grundinformationen

Standard-SMILES: Cc1c(Cl)cc[n+]([O-])c1C
InChIKey: MCUYHRNUDDANSO-UHFFFAOYSA-N
Summenformel: C7H8ClNO
Durchschnittliche Molmasse: 157,6 g/mol
Monoisotopische Masse: 157,02944156

Namen und Bezeichner

Bevorzugter Name: 4-Chloro-2,3-dimethyl-1-oxidopyridin-1-ium
IUPAC: 4-chloro-2,3-dimethyl-1-oxidopyridin-1-ium
Englischer Name: 4-Chloro-2,3-dimethylpyridine 1-oxide
Summenformel: C7H8ClNO
Molmasse: 157.6

Namen und Synonyme

4-Chloro-2,3-dimethyl-1-oxidopyridin-1-iumRefChem:520849611-910-859886-90-74-CHLORO-2,3-DIMETHYLPYRIDINE 1-OXIDE4-chloro-2,3-dimethylpyridine n-oxide4-Chloro-2,3-dimethylpyridine-N-oxidePyridine, 4-chloro-2,3-dimethyl-, 1-oxide2,3-Dimethyl-4-chloropyridine N-oxide4-Chloro-2,3-dimethyl-pyridine 1-oxide4-chloro-2,3-dimethylpyridin-1-ium-1-olateLansoprazole Impurity 30

Weitere Namen anzeigen

NSC 27526nsc 275262Lansoprazole-154-Chloro-2,3-dimethyRabeprazole Impurity 40Lansoprazole Impurity 57Lansoprazole Impurity B-9Lansoprazole EP Impurity 163-DiMethyl-4-chloropyridine N-oxide2,3-DiMethyl-4-chloropyridne-n-oxide

MFCD064111252,3-DIMETHYL 4-CHLORO PYRIDINE N-OXIDE4-Chloro-2,3-dimethylpyridine1-oxideSCHEMBL7124322,3-DIMETHYL-4-CHLOROPYRIDINEN-OXIDENSC2752624-chlor-2,3-dimethylpyridine-N-oxideNSC-275262

Datenbank-Bezeichner

CAS: 59886-90-7
PubChem CID: 9877446
DTXSID: DTXSID50975294
EC Number: 611-910-8
Nikkaji: J1.632.223G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 25,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 120

Physikochemische Eigenschaften

Schmelzpunkt: 103 · 103-105°C
Siedepunkt: 338.5 °C · 338.5°C
Dichte: 1.19 · 1.19
Dampfdruck: 0.346 Pa · 0.346Pa at 25℃
Flammpunkt: 158.5 °C · 158.5°C
storage temp.: Room temperature.
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 1.28 · 1.28±0.10(Predicted)
Farbe: Pale Yellow to Light Beige
InChI: InChI=1S/C7H8ClNO/c1-5-6(2)9(10)4-3-7(5)8/h3-4H,1-2H3
InChIKey: MCUYHRNUDDANSO-UHFFFAOYSA-N
SMILES: C1(C)[N+]([O-])=CC=C(Cl)C=1C
LogP: 0.4 at · 0.4 at 25℃
CAS Datenbank: 59886 · 59886-90-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 2.3% (1 of 43) of reports.

Danger

H302 (93%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.