4-Pyridazinecarboxylic acid

CAS NO.：50681-25-9
Empirical Formula: C5H4N2O2
Molecular Weight: 124.1
MDL number: MFCD00011576
EINECS: 610-561-9
SAFETY DATA SHEET (SDS)
Update Date: 2023-10-30 14:07:36

What is 4-Pyridazinecarboxylic acid?

Chemical properties

Off-white to brown powder

The Uses of 4-Pyridazinecarboxylic acid

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 Å³, Z=4, R_gt(F)= 0.0567, wR_ref(F²)= 0.1515, T= 153K[1].
4-Pyridazinecarboxylic acid

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.

Properties of 4-Pyridazinecarboxylic acid

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)
CAS DataBase Reference	50681-25-9(CAS DataBase Reference)

Safety information for 4-Pyridazinecarboxylic acid

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes	P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.