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: 2025-01-27 09:38:02
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, Rgt(F)= 0.0567, wRref(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.
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. |
Computed Descriptors for 4-Pyridazinecarboxylic acid
| InChIKey | JUSIWJONLKBPDU-UHFFFAOYSA-N |
| SMILES | C1=NN=CC=C1C(O)=O |
4-Pyridazinecarboxylic acid manufacturer
JSK Chemicals
New Products
1-Chloro-4-Methyl-2-Nitrobenzene 4-Bromo-2-chlorobenzonitrile 3-(4-morpholinophenylamino)-5-amino-1H-pyrazole-4-carbonitrile 1,3-Diethyl-1,3-Diphenylurea Methyl 2-methylquinoline-6-carboxylate 2-((4-morpholinophenylamino) (methylthio) methylene) malononitrile Benzethonium Chloride Trenbolone Enanthate Prednisolone acetate Cisplatin Chlorodehydromethyl testosterone Ketoconazole 2,4-Difluoro-5-nitrobenzoicacid Methyl 2-oxo-2,3-dihydrobenzo[d]oxazole-7-carboxylate 3-Hydroxy-4-nitrobromobenzene 4-(2-Aminoethyl)-7-hydroxy-2H-chromoen-2-one 2-Ethyl-1,4-diaminobenzene 2-Ethylhexyl 4-aminobenzoate Fmoc-N-Me-Ala-OH Boc-His-OH Fmoc-N-Me-Ile-OH tert-butyl 9-methoxy-3-azaspiro[5.5]undecane-3-carboxylate Indole Ethyl Resin Indole Methyl ResinRelated products of tetrahydrofuran
You may like
-
50681-25-9 Pyridazine-4-carboxylic acid 98%View Details
50681-25-9 -
4-Pyridazinecarboxylic acid 98%View Details
50681-25-9 -
Pyridazine-4-carboxylic acid 98%View Details
50681-25-9 -
50681-25-9 4-Pyridazinecarboxylic acid, 97% 99%View Details
50681-25-9 -
Pyridazine-4-carboxylic Acid CAS 50681-25-9View Details
50681-25-9 -
Pyridazine-4-carboxylic acid 98% CAS 50681-25-9View Details
50681-25-9 -
50681-25-9 98%View Details
50681-25-9 -
tert-butyl 9-methoxy-3-azaspiro[5.5]undecane-3-carboxylate 98%View Details
2640989-54-2