Pyridazine-4-carboxylic Acid

HCID 2761046CAS 50681-25-9

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Grundinformationen

Standard-SMILES: O=C(O)c1ccnnc1
InChIKey: JUSIWJONLKBPDU-UHFFFAOYSA-N
Summenformel: C5H4N2O2
Durchschnittliche Molmasse: 124,1 g/mol
Monoisotopische Masse: 124,02727737

Namen und Bezeichner

Bevorzugter Name: Pyridazine-4-carboxylic Acid
IUPAC: pyridazine-4-carboxylic acid
Englischer Name: 4-Pyridazinecarboxylic acid
Summenformel: C5H4N2O2
Molmasse: 124.1

Namen und Synonyme

Pyridazine-4-carboxylic Acid50681-25-94-Pyridazinecarboxylic acidDTXSID40375502RefChem:376382DTXCID00326530610-561-9MFCD000115764-CarboxypyridazineSCHEMBL185925CHEMBL394068AKOS005259573

Weitere Namen anzeigen

pyridazin-4-yl forMatepyridazin-4-carboxylic acidPyridazine-4-carboxylic a...1(2H)-Pyrazinecarboxylic Acid1,2-Diazine-4-carboxylic AcidPyridazine-4-Dicarboxylic Acid

HY-W002066AC-3281PB17054P1907Z11823284434-pyridazinecarboxylicacidBCP22416Pyrzine-4-carboxylic acid

Datenbank-Bezeichner

CAS: 50681-25-9
PubChem CID: 2761046
DTXSID: DTXSID40375502
ChEMBL: CHEMBL394068
EC Number: 610-561-9
Nikkaji: J293.836G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,3
Polarare Oberfläche (TPSA): 63,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 116

Physikochemische Eigenschaften

Schmelzpunkt: 244.2 °C · 244.2 °C (dec.) (lit.)
Siedepunkt: 404.2 · 404.2±18.0 °C(Predicted)
Dichte: 1.403 · 1.403±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
pka: 3.18 · 3.18±0.10(Predicted)
Farbe: White to Almost white
InChI: InChI=1S/C5H4N2O2/c8-5(9)4-1-2-6-7-3-4/h1-3H,(H,8,9)
InChIKey: JUSIWJONLKBPDU-UHFFFAOYSA-N
SMILES: C1=NN=CC=C1C(O)=O
CAS Datenbank: 50681 · 50681-25-9(CAS DataBase Reference)

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 50 reports by companies from 9 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: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden4-Pyridazinecarboxylic Acid is the pyridazine analog of Nicotinic Acid (N429250). 4-Pyridazinecarboxylic Acid is a glutamate racemase inhibitor. It is also used in characterization study of nicotinic acid receptors in mouse macrophages