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HCID 99621Erstellt: 24. Oktober 2026

1,4,5,6-Tetrahydro-6-oxo-3-pyridazinecarboxylic acid

NSC 251543 · AKOS BBS-00006915 · OTAVA-BB BB7020410149 · 6-Carboxy-4,5-dihydropyridazin-3(2H)-one · 3-Carboxy-6-oxo-1,4,5,6-tetrahydropyridazine · 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate · 6-OXO-4,5-DIHYDRO-PYRIDAZINE-3-CARBOXYLIC ACID · 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylicaci

https://huagongshe.com/de/chemical/99621

Molekülstruktur von 1,4,5,6-Tetrahydro-6-oxo-3-pyridazinecarboxylic acid

Identifikatoren & physikalische Daten

CAS No.27372-38-9
SummenformelC5H6N2O3
Durchschnittliche Molmasse142,11 g/mol
Monoisotopische Masse142,03784205 g/mol
SMILESO=C1CCC(C(=O)O)=NN1
InChIKeyVUADWGRLHPTYPI-UHFFFAOYSA-N
PubChem CID99621
EC No.636-680-6
DTXSIDDTXSID60181809

Chemische & physikalische Eigenschaften

XLogP-1,1
Polarare Oberfläche (TPSA)78,8
H-Brücken-Donoren2
H-Brücken-Akzeptoren4
Frei drehbare Bindungen1
Schwere Atome10
Formalladung0
Komplexität209
Schmelzpunkt196-198°C
Dichte1.65±0.1 g/cm3 (20 ºC 760 Torr)
LagerbedingungenSealed in dry,Room Temperature
Aggregatzustandpowder to crystal
pKa (Säurekonstante)-2.06±0.20(Predicted)
FarbeWhite to Light yellow
CAS Datenbank27372-38-9(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-EinstufungWarningH315 (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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Zollcode2933998090
R-Sätze (R)36/37/38
GefahrensymboleXi
Sicherheitshinweise (S)26-36/37/39
GefahrenklasseIRRITANT