3-Hydroxypyridin-2-carboxamid

3-Hydroxypicolinamide

HCID 70277CAS 933-90-4

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Grundinformationen

Standard-SMILES: NC(=O)c1ncccc1O
InChIKey: VIHUZJYFQOEUMI-UHFFFAOYSA-N
Summenformel: C6H6N2O2
Durchschnittliche Molmasse: 138,12 g/mol
Monoisotopische Masse: 138,04292744

Namen und Bezeichner

Bevorzugter Name: 3-Hydroxypicolinamide
IUPAC: 3-hydroxypyridine-2-carboxamide
Lokaler Name: 3-Hydroxypyridin-2-carboxamid
Englischer Name: 3-Hydroxypicolinamide
Summenformel: C6H6N2O2
Molmasse: 138.12

Namen und Synonyme

3-Hydroxypicolinamide933-90-43-Hydroxy-2-pyridinecarboxamideVK3YNW4R82DTXSID00239378RefChem:502351DTXCID20161869213-274-33-Hydroxypyridine-2-carboxamide3-Hydroxy-pyridine-2-carboxylic acid amideMFCD000063022-Pyridinecarboxamide, 3-hydroxy-

Weitere Namen anzeigen

Hydroxypicolinamide3-Hydroxypicolineamide3-Hydroxypicolinamide>3-HYDROXYPICOLINAMIDE 98%3-Hydroxypicolinamide,98+%2-Pyridinecarboxamide,3-hydroxy-(9CI)

EINECS 213-274-33-hydroxy picolinic amideUNII-VK3YNW4R823-Hydroxypicolinamide, 98%SCHEMBL324348SCHEMBL324349SCHEMBL9819698SCHEMBL10002474

Datenbank-Bezeichner

CAS: 933-90-4
PubChem CID: 70277
DTXSID: DTXSID00239378
ChEBI: CHEBI:169984
UNII: VK3YNW4R82
EC Number: 213-274-3
Nikkaji: J298.520I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 76,2 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 138

Physikochemische Eigenschaften

Schmelzpunkt: 193 · 193-197 °C (lit.)
Siedepunkt: 479.3 · 479.3±30.0 °C(Predicted)
Dichte: 1.384 · 1.384±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: 15.26 · 15.26±0.50(Predicted)
Aggregatzustand: powder to crystal
Farbe: White to Almost white
InChI: 1S/C6H6N2O2/c7-6(10)5-4(9)2-1-3-8-5/h1-3,9H,(H2,7,10)
InChIKey: VIHUZJYFQOEUMI-UHFFFAOYSA-N
SMILES: NC(=O)c1ncccc1O
CAS Datenbank: 933 · 933-90-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.