4-Chlorpyridin-N-oxid

4-chloropyridine N-oxide

HCID 70724CAS 1121-76-2

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Grundinformationen

Standard-SMILES: [O-][n+]1ccc(Cl)cc1
InChIKey: DPJVRASYWYOFSJ-UHFFFAOYSA-N
Summenformel: C5H4ClNO
Durchschnittliche Molmasse: 129,54 g/mol
Monoisotopische Masse: 128,99814143

Namen und Bezeichner

Bevorzugter Name: 4-chloropyridine N-oxide
IUPAC: 4-chloro-1-oxidopyridin-1-ium
Lokaler Name: 4-Chlorpyridin-N-oxid
Englischer Name: 4-Chloropyridine N-oxide
Summenformel: C5H4ClNO
Molmasse: 129.54

Namen und Synonyme

4-Chloropyridine N-oxide4-Chloropyridine 1-oxidePyridine, 4-chloro-, 1-oxideDTXSID0041513NSC-5074F3196UEB9QDTXCID8021513CHLOROPYRIDINE N-OXIDE, 4-Caswell No. 215AUNII-F3196UEB9QEINECS 214-336-2EPA Pesticide Chemical Code 069204

Weitere Namen anzeigen

TH 285NAURORA KA-3011Chloropyridineoxide4-Chloropuridine N-oxide4-Chloro-pyridine1-oxidePyridine,4-chloro-,1-oxide4-Chloropyridine-N-oxide,98%

RefChem:98617NSC 5074214-336-21121-76-24-chloro-1-oxidopyridin-1-ium4-Chloropyridine oxide4-chloropyridin-1-ium-1-olate4-Chloropyridine-N-oxide

Datenbank-Bezeichner

CAS: 1121-76-2
PubChem CID: 70724
DTXSID: DTXSID0041513
ChEMBL: CHEMBL3186776
UNII: F3196UEB9Q
EC Number: 214-336-2
Nikkaji: J7.265F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0
Polarare Oberfläche (TPSA): 25,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 70,8

Experimentelle und physikochemische Eigenschaften

Collision Cross Section121.6 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0041513]

Physikochemische Eigenschaften

Schmelzpunkt: 160 °C · 160 °C (dec.) (lit.)
Siedepunkt: 310 · 310.0±15.0 °C(Predicted)
Dichte: 1.27 · 1.27±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Aggregatzustand: powder to crystal
pka: 0 · 0+-.0.10(Predicted)
Farbe: White to Light yellow to Light orange
InChI: InChI=1S/C5H4ClNO/c6-5-1-3-7(8)4-2-5/h1-4H
InChIKey: DPJVRASYWYOFSJ-UHFFFAOYSA-N
SMILES: C1[N+]([O-])=CC=C(Cl)C=1
CAS Datenbank: 1121 · 1121-76-2(CAS DataBase Reference)
NIST chemische Informationen: 4 · 4-Chloropyridine-N-oxide(1121-76-2)
EPA chemische Informationen: 4 · 4-Chloropyridine 1-oxide (1121-76-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29333999
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-37/39-36/37/39-36
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden4-Chloropyridine N-Oxide can be used for electronic transmission material which can be used to prepare an electronic transport layer that is comprised in an electronic device which makes up a stable display device.