6-Hydroxypyridazine-3-carboxylic Acid

HCID 305970CAS 306934-80-5

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Grundinformationen

Standard-SMILES: O=C(O)c1ccc(=O)[nH]n1
InChIKey: GIFSROMQVPUQFK-UHFFFAOYSA-N
Summenformel: C5H4N2O3
Durchschnittliche Molmasse: 140,1 g/mol
Monoisotopische Masse: 140,02219199

Namen und Bezeichner

Bevorzugter Name: 6-Hydroxypyridazine-3-carboxylic Acid
IUPAC: 6-oxo-1H-pyridazine-3-carboxylic acid
Englischer Name: 6-Oxo-1,6-dihydro-pyridazine-3-carboxylicacid
Summenformel: C5H4N2O3
Molmasse: 140.1

Namen und Synonyme

6-hydroxypyridazine-3-carboxylic acid6-oxo-1,6-dihydropyridazine-3-carboxylic acidDTXSID70308343RefChem:543442DTXCID00259470675-237-1805-849-837972-69-36-Hydroxy-3-pyridazinecarboxylic acid6-Oxo-1,6-dihydro-pyridazine-3-carboxylic acid6-oxo-1H-pyridazine-3-carboxylic acid3-Hydroxypyridazine-6-carboxylic acid

Weitere Namen anzeigen

4-hydroxypyriMidine-2-carboxylic acid3-hydroxypyridazine-6-car...1,6-dihydro-6-ox-3-darbazinate6-keto-1H-pyridazine-3-carboxylic acid6-Hydroxypyridazine-3-carboxylic acid 98%

MFCD090649366-Hydroxy-pyridazine-3-carboxylic acid3-pyridazinecarboxylic acid, 1,6-dihydro-6-oxo-6-Oxo-1,6-dihydro-3-pyridazinecarboxylic acidNSC2031756-carboxy-3(2H)-pyridazone6-Carboxy-3(2H)-pyridazinoneAKOS000261935

Datenbank-Bezeichner

CAS: 306934-80-5、37972-69-3
PubChem CID: 305970
DTXSID: DTXSID70308343
ChEMBL: CHEMBL1213607
EC Number: 675-237-1、805-849-8
Nikkaji: J39.652D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,8
Polarare Oberfläche (TPSA): 78,8 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 241

Physikochemische Eigenschaften

Schmelzpunkt: 246 °C · 246 °C
Dichte: 1.63 · 1.63±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: -2.86 · -2.86±0.20(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

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