| Customization: | Available |
|---|---|
| CAS No.: | 872-85-5 |
| Formula: | C6h5no |
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| 4-Pyridinecarboxaldehyde Chemical Properties |
| Melting point | -4--2°C |
| Boiling point | 71-73 °C/10 mmHg (lit.) |
| density | 1.137 g/mL at 20 °C (lit.) |
| vapor pressure | 0.02 hPa (20 °C) |
| refractive index | n20/D 1.544(lit.) |
| Fp | 130 °F |
| storage temp. | Store at +2°C to +8°C. |
| solubility | 20g/l |
| pka | 12.05(at 30ºC) |
| form | liquid (clear) |
| color | clear brown-yellow |
| PH | 7-8 (H2O, 20ºC)(saturated aqueous solution) |
| Water Solubility | 20 g/L (20 ºC) |
| Sensitive | Air Sensitive |
| BRN | 105342 |
| InChIKey | BGUWFUQJCDRPTL-UHFFFAOYSA-N |
| CAS DataBase Reference | 872-85-5(CAS DataBase Reference) |
| NIST Chemistry Reference | 4-Pyridinecarboxaldehyde(872-85-5) |
| EPA Substance Registry System | 4-Pyridinecarboxaldehyde (872-85-5) |
| Safety Information |
| Hazard Codes | Xi,F |
| Risk Statements | 36/37/38-10 |
| Safety Statements | 26-36-36/37/39-16 |
| RIDADR | UN 1989 |
| WGK Germany | 1 |
| RTECS | NR9400000 |
| F | 8-10-23 |
| Hazard Note | Irritant/Keep Cold/Air Sensitive |
| TSCA | Yes |
| HazardClass | 3.2 |
| PackingGroup | III |
| HS Code | 29333999 |
| Toxicity | LD50 orally in Rabbit: 2355 mg/kg LD50 dermal Rat > 2000 mg/kg |
| 4-Pyridinecarboxaldehyde Usage And Synthesis |
| Flavor Type | Flavor Type: fruity |
| Chemical Properties | 4-Pyridinecarboxaldehyde(4PCA) is a slightly yellow oily liquid. Its relative density is 1.122, and its refractive index is 1.5352 (25°C). Flash point is 54 ° C. 4-Pyridinecarboxaldehyde is soluble in water and ether.4-Pyridinecarboxaldehyde, also commonly called pyridine-2-carboxaldehyde, is an organic compound with the formula NC5H4CHO. 4-Pyridinecarboxaldehyde is a colorless oily liquid with a distinctive odor. Older samples are often brown-colored owing to impurities. |
| Uses | 4-Pyridinecarboxaldehyde is an heterocyclic building block used for the synthesis of various pharmaceutical compounds, such as new 1,4-dihydropyridin-4-yl-phenoxyacetohydrazones, having anticonvulsant and anti-inflammatory properties.4-Pyridinecarboxaldehyde and some of its derivatives have also been reported as useful transamination reagents to introduce ketone or aldehyde groups onto the N-termini of antibodies for subsequent site-specifically conjugate aminooxy-functionalized molecules (including fluorescent dyes, polyethylene glycol, or porphyrins) to these entities. 4-Pyridinecarboxaldehyde can be used for the synthesis of: β-Unsaturated amides by coupling with N,N-disubstituted formamides; meso-Substituted A3-corroles; N-(4-pyridylmethyl)-L-valine as a ligand to construct zinc metal-organic frameworks (Zn-MOFs); 4′-Pyridyl terpyridines, with potential application as anticancer and antimicrobial agents; 4-pyridinecarboxaldehyde thiosemicarbazone, as a corrosion inhibitor for mild steel. |
| Chemical Properties | clear yellow-brown liquid |
| Synthesis Reference(s) | Synthetic Communications, 20, p. 3385, 1990 DOI: 10.1080/00397919008051576 |
| Purification Methods | Purified as for pyridine-2-aldehyde. [Beilstein 21 III/IV 2529, 21/7 V 351.] |
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