4-Pyridazinecarboxylic acid
- CAS No.
- 50681-25-9
- Chemical Name:
- 4-Pyridazinecarboxylic acid
- Synonyms
- PYRIDAZINE-4-CARBOXYLIC ACID;4-Carboxypyridazine;pyridazin-4-yl forMate;Pyrzine-4-carboxylic Acid;4-PYRIDAZINECARBOXYLIC ACID;pyridazin-4-carboxylic acid;Pyridazine-4-carboxylic a...;1(2H)-Pyrazinecarboxylic Acid;1,2-Diazine-4-carboxylic Acid;Pyridazine-4-Dicarboxylic Acid
- CBNumber:
- CB2139919
- Molecular Formula:
- C5H4N2O2
- Molecular Weight:
- 124.1
- MOL File:
- 50681-25-9.mol
- MSDS File:
- SDS
- Modify Date:
- 2023/10/30 14:07:36
| 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
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26-37/39 | |||||||||
| WGK Germany | 3 | |||||||||
| HazardClass | IRRITANT | |||||||||
| HS Code | 29339900 | |||||||||
| NFPA 704 |
|
4-Pyridazinecarboxylic acid price More Price(3)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich(India) | 297763 | 4-Pyridazinecarboxylic acid 97% | 50681-25-9 | 1G | ₹12243.08 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | 297763 | 4-Pyridazinecarboxylic acid 97% | 50681-25-9 | 5G | ₹40756.13 | 2022-06-14 | Buy |
| TCI Chemicals (India) | P1907 | Pyridazine-4-carboxylic Acid min. 98.0 % | 50681-25-9 | 1G | ₹9900 | 2022-05-26 | Buy |
4-Pyridazinecarboxylic acid Chemical Properties,Uses,Production
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 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.
4-Pyridazinecarboxylic acid Preparation Products And Raw materials
Raw materials
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