2-Hydroxypyridin-1-oxid

Hydroxypyridinone

HCID 69975CAS 13161-30-3

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Grundinformationen

Standard-SMILES: O=c1ccccn1O
InChIKey: SNUSZUYTMHKCPM-UHFFFAOYSA-N
Summenformel: C5H5NO2
Durchschnittliche Molmasse: 111,1 g/mol
Monoisotopische Masse: 111,0320284

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: Hydroxypyridinone
IUPAC: 1-hydroxypyridin-2-one
Lokaler Name: 2-Hydroxypyridin-1-oxid
Englischer Name: 2-Pyridinol-1-oxide
Summenformel: C5H5NO2
Molmasse: 111.1

Namen und Synonyme

2-Pyridinol-1-oxide2-Hydroxypyridine 1-oxide822-89-9Hydroxypyridinone1-Hydroxy-2-pyridone2-Pyridinol, 1-oxide1-hydroxy-2(1h)-pyridinone2(1H)-Pyridinone, 1-hydroxy-Hydroxyl-2-pyridoneN-hydroxy-2-pyridoneN-Hydroxyl-2-pyridone1-hydroxy-2(1H)-pyridone

Weitere Namen anzeigen

HOPO2-HYDROXYPYRIDINE N-OXIDEHPNO1-oxide1-hydroxypyridin-2-one2-Hydorxy Pyridine-N-Oxide2-HYDROXYPYRIDINE N-OXIDE 98%

EINECS 212-506-0NSC-406972YO3915897SDTXSID702316222-Pyridinol, N-oxideEINECS 236-100-8NSC 406972AI3-60199

Datenbank-Bezeichner

CAS: 13161-30-3、1320-69-0、822-89-9
PubChem CID: 69975
DTXSID: DTXSID70231622
ChEMBL: CHEMBL3898657、CHEMBL81398
UNII: YO3915897S
EC Number: 212-506-0、236-100-8
Nikkaji: J195.073H、J31.363G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,7
Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 160

Experimentelle und physikochemische Eigenschaften

CosmeticsHair dyeing; Foam boosting

LogP-0.59

Physikochemische Eigenschaften

Schmelzpunkt: 147 · 147-152 °C
Siedepunkt: 387.7 · 387.7±15.0 °C(Predicted)
Dichte: 1.111 · 1.111
Dampfdruck: 0.223 Pa · 0.223Pa at 25℃
Brechungsindex: 1.388 · 1.388
Flammpunkt: 100 °C · 100 °C
storage temp.: 2 · Inert atmosphere,2-8°C
Löslichkeit: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly), Water (Slightly)
Aggregatzustand: Solid
pka: 1 · pK1:-0.62;pK2:5.97(0) (25°C)
Farbe: Off-White to Light Yellow
Wasserlöslichkeit: 331 g/L · 331g/L
BRN: 1422545 · 1422545
InChI: 1S/C5H5NO2/c7-5-3-1-2-4-6(5)8/h1-4,7H
InChIKey: JVHZMYAXZUIZKS-UHFFFAOYSA-N
SMILES: Oc1cccc[n+]1[O-]
LogP: -1.07 at · -1.07 at 25℃
CAS Datenbank: 13161 · 13161-30-3(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2-Pyridinol-1-oxide(13161-30-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 23% (23 of 100) of reports.

Warning

H315 (77%): 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 100 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

Gefahrenhinweise

Regulatory Information · 3 Einträge

Status: Active Update: 25-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/20236

Status: Active Update: 29-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26617

2-Pyridinol, 1-oxide: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and Categories · 2 Einträge

Acute Tox. 4 (97.1%)

Skin Irrit. 2 (77%)

Sicherheitsdaten

wgk: 3
hs_code: 29333990
risk_code: 36/37/38-40
hazard_code: Xi,Xn
safety_code: 26-36-22
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

Use ClassificationCosmetics -> Hair dyeing; Foam boosting

Anwendungen · 1 Eintrag

Verwenden2-Pyridinol 1-oxide can be used: To fabricate gold electrodes for the electrochemical determination of europium using cyclic voltammetry. To prepare polymeric nickel (II) complex of 2-hydroxypyridine-N-oxide. In the synthesis of 1-methoxypyrid-4-one in the presence of sodium methoxide and methyl toluene-9-sulphonate.