4-Pyridazinecarboxylic acid Chemical Properties

Melting point:

244.2 °C (dec.) (lit.)

Boiling point:

404.2±18.0 °C(Predicted)

Density 

1.403±0.06 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

form 

powder to crystal

pka

3.18±0.10(Predicted)

color 

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 DataBase Reference

50681-25-9(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-37/39

WGK Germany 

3

HazardClass 

IRRITANT

HS Code 

29339900

MSDS

• Language:English Provider:SigmaAldrich

4-Pyridazinecarboxylic acid Usage And Synthesis

Chemical Properties

Off-white to brown powder

Uses

4-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

Definition

4-Pyridazinecarboxylic acid is a derivative of Pyridazine which has highly π-deficient aromatic character can be used as electron-withdrawing part into push-pull structures favoring the intramolecular charge transfer (ICT)[2].

General Description

Surface electrochemical studies of 4-pyridazinecarboxylic acid adsorbed at Pt(111) surfaces by electron energy-loss and Auger spectroscopy has been reported.

Structure and conformation

Pnma(no. 62), a= 11.165(2) Å, b= 6.215(1) Å, c= 7.413(2)Å, V= 514.4 ų, Z=4, R_gt(F)= 0.0567, wR_ref(F²)= 0.1515, T= 153K[1].

References

[1] Deng S, et al. Crystal structure of 4-pyridazinecarboxylic acid, C5H4N2O2. Zeitschrift für Kristallographie - New Crystal Structures, 2015; 230.
[2] Eme A, et al. Spectroscopic (FT–IR, FT–Raman, UV–Vis) analysis, conformational, HOMO-LUMO, NBO and NLO calculations on monomeric and dimeric structures of 4–pyridazinecarboxylic acid by HF and DFT methods, 2017.

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