Pyridin-1-oxid

Pyridine N-Oxide

HCID 12753CAS 694-59-7
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Grundinformationen

Standard-SMILES
[O-][n+]1ccccc1
InChIKey
ILVXOBCQQYKLDS-UHFFFAOYSA-N
Summenformel
C5H5NO
Durchschnittliche Molmasse
95,1 g/mol
Monoisotopische Masse
95,03711378

Überblick

Pyridine N-oxide is the pyridine N-oxide derived from the parent pyridine. It is a drug metabolite of the antihypertensive agent pinacidil. It has a role as a drug metabolite.

Namen und Bezeichner

Bevorzugter Name
Pyridine N-Oxide
IUPAC
1-oxidopyridin-1-ium
Lokaler Name
Pyridin-1-oxid
Englischer Name
Pyridine-N-oxide
Summenformel
C5H5NO
Molmasse
95.1

Namen und Synonyme

Pyridine-N-oxide694-59-7PYRIDINE N-OXIDEPyridine 1-oxidePyridine oxidePyridine, 1-oxide91F12JJJ4HDTXSID3061007NSC-18250CHEBI:29136RefChem:177568DTXCID9046499
Weitere Namen anzeigen
Pyridin-N-oxidPyridne-N-Oxide1-oxidePyridineN- oxidopyridinPyridine-N-Oxidee3-PICOLIN-N-OXIDE
211-774-6Pyridine-1-oxide1-oxidopyridin-1-iumpyridin-1-ium-1-olateMFCD00006194pyridineoxidepyridine-oxideUNII-91F12JJJ4H

Datenbank-Bezeichner

CAS
694-59-7
PubChem CID
12753
DTXSID
DTXSID3061007
ChEMBL
CHEMBL3278446
ChEBI
CHEBI:29136
UNII
91F12JJJ4H
EC Number
211-774-6
Nikkaji
J35.411B

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-1,2
Polarare Oberfläche (TPSA)
25,5 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
0
Schwere Atome
7

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Amine Oxides
Vapor Pressure0.19 [mmHg]
Physical DescriptionDeliquescent solid; [Merck Index] Brown moist crystalline solid; Hygroscopic; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
62 · 62-67 °C(lit.)
Siedepunkt
270 °C · 270 °C(lit.)
Dichte
1.1418 · 1.1418 (rough estimate)
Brechungsindex
1.5939 · 1.5939 (estimate)
Flammpunkt
143 °C · 143 °C
storage temp.
2 · 2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Pyridine, 1-oxide

Pyridine, 1-oxide: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryOral LD50 (wild birds) = 1 gm/kg; [RTECS] A skin and strong eye irritant; Toxic by ingestion; [Alfa Aesar MSDS] See Pyridine.
Hazard Classes and CategoriesAcute Tox. 4 (11.1%)

Sicherheitsdaten

F
21
wgk
3
tsca
TSCA listed
hs_code
29333999
RTECS-Nr.
UT6410000
risk_code
36/37/38-22-40-20/21/22

Chemie und Industrie

Verwendung und Herstellung

UsesUsed as an intermediate; [Merck Index]
General Manufacturing InformationPyridine, 1-oxide: ACTIVE

Anwendungen

VerwendenIntermediate.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: The pyridine N-oxide derived from the parent pyridine. It is a drug metabolite of the antihypertensive agent pinacidil.

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