| Identification | More | [Name]
4-Pyridinecarboxaldehyde | [CAS]
872-85-5 | [Synonyms]
4-FORMYLPYRIDINE
4-PYRIDINECARBALDEHYDE
4-PYRIDINECARBOXALDEHYDE
AKOS BBS-00003164
ISONICOTINALDEHYDE
ISONICOTINEALDEHYDE
LABOTEST-BB LT00942406
PYRIDINE-4-ALDEHYDE
PYRIDINE-4-CARBALDEHYDE
PYRIDINE-4-CARBOXALDEHYDE
TIMTEC-BB SBB004357
4-Formylpyrdine
4-Pyridinealdehyde
4-Pyridylaldehyde
Isonicotinic aldehyde
isonicotinicaldehyde
p-Pyridinealdehyde
Pyridine-4-aldehylde
Pyridine-3-carboxyaldehyde
4-Pyridine carboxadehyde | [EINECS(EC#)]
212-832-3 | [Molecular Formula]
C6H5NO | [MDL Number]
MFCD00006425 | [Molecular Weight]
107.11 | [MOL File]
872-85-5.mol |
| Chemical Properties | Back Directory | [Appearance]
clear yellow-brown liquid | [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. ]
2-8°C
| [solubility ]
20g/l | [form ]
liquid (clear)
| [pka]
12.05(at 30℃) | [color ]
clear brown-yellow
| [PH]
7-8 (H2O, 20℃)(saturated aqueous solution) | [Water Solubility ]
20 g/L (20 ºC) | [Sensitive ]
Air Sensitive | [Detection Methods]
GC,NMR | [BRN ]
105342 | [Henry's Law Constant]
5.6×101 mol/(m3Pa) at 25℃, Abraham et al. (1994) | [InChI]
1S/C6H5NO/c8-5-6-1-3-7-4-2-6/h1-5H | [InChIKey]
BGUWFUQJCDRPTL-UHFFFAOYSA-N | [SMILES]
[H]C(=O)c1ccncc1 | [LogP]
0.12 at 30℃ and pH7 | [CAS DataBase Reference]
872-85-5(CAS DataBase Reference) | [NIST Chemistry Reference]
4-Pyridinecarboxaldehyde(872-85-5) | [Storage Precautions]
Store under nitrogen | [EPA Substance Registry System]
872-85-5(EPA Substance) |
| Questions And Answer | Back Directory | [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.
|
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS05,GHS07 | [Signal word ]
Danger | [Hazard statements ]
H314-H317-H412 | [Precautionary statements ]
P261-P272-P273-P280-P303+P361+P353-P305+P351+P338 | [Hazard Codes ]
Xi,F | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R10:Flammable. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S16:Keep away from sources of ignition-No smoking . | [RIDADR ]
UN 1989 | [WGK Germany ]
1
| [RTECS ]
NR9400000
| [F ]
8-10-23 | [Hazard Note ]
Irritant/Keep Cold/Air Sensitive | [TSCA ]
Yes | [REACH Registrations]
Active | [HazardClass ]
3.2 | [PackingGroup ]
III | [HS Code ]
29333999 | [Storage Class]
8A - Combustible corrosive hazardous materials | [Hazard Classifications]
Aquatic Chronic 3
Eye Dam. 1
Skin Corr. 1B
Skin Sens. 1 | [Toxicity]
LD50 orally in Rabbit: 2355 mg/kg LD50 dermal Rat > 2000 mg/kg |
| Hazard Information | Back Directory | [Application]
As a colorless liquid with a pungent odor, 4-Pyridinecarboxaldehyde serves as a component in the synthesis of diverse organic compounds. Its applications extend to the synthesis of pharmaceuticals, fragrances, and pesticides. Moreover, it has proven instrumental in the creation of a wide range of organic compounds, including antioxidants and anti-inflammatory agents.
| [Preparation]
4-Pyridinecarbaldehyde is synthesized by oxidation of 4-picoline. The mixed gas of 4-picoline and air is passed through the vanadium-molybdenum catalyst layer heated to 400°C, and oxidized to generate 4-pyridinecarbaldehyde. | [Reactions]
4-Pyridinecarboxaldehyde undergoes many reactions expected for aromatic aldehydes such as reductive amination and Schiff base formation. It condenses with pyrrole to give tetrapyridylporphyrin.
| [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.] |
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
|