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ChemicalBook--->CAS DataBase List--->872-85-5

872-85-5

872-85-5 Structure

872-85-5 Structure
IdentificationMore
[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 PropertiesBack 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
[InChIKey]

BGUWFUQJCDRPTL-UHFFFAOYSA-N
[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 AnswerBack 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 DataBack Directory
[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
[HazardClass ]

3.2
[PackingGroup ]

III
[HS Code ]

29333999
[Toxicity]

LD50 orally in Rabbit: 2355 mg/kg LD50 dermal Rat > 2000 mg/kg
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

4,4'-Vinylenedipyridine-->PYRIDIN-4-YLMETHYL-HYDRAZINE-->1-(4-PYRIDYLMETHYL)PIPERAZINE-->5,10,15,20-TETRA(4-PYRIDYL)-21H,23H-PORPHINE-->4-Pyridinealdoxime-->TPP-->4-Vinylpyridine-->1,2-BIS(2-PYRIDYL)ETHYLENE-->4-Pyridylcarbinol-->Ethyl isonicotinate-->4-(1H-IMIDAZOL-2-YL)-PYRIDINE-->1-PYRIDIN-4-YL-ETHYLAMINE-->3-(1-acetylpiperidin-4-yl)propanoic acid-->4-Ethynylpyridine-->2,3,4,5-TETRA-(4-PYRIDYL) THIOPHENE-->4-(Bromomethyl)pyridine hydrobromide
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Isonicotinaldehyde(872-85-5).msds
Hazard InformationBack Directory
[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.
[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.]
Spectrum DetailBack Directory
[Spectrum Detail]

4-Pyridinecarboxaldehyde(872-85-5)MS
4-Pyridinecarboxaldehyde(872-85-5)1HNMR
4-Pyridinecarboxaldehyde(872-85-5)13CNMR
4-Pyridinecarboxaldehyde(872-85-5)IR1
4-Pyridinecarboxaldehyde(872-85-5)Raman
4-Pyridinecarboxaldehyde(872-85-5)ESR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Pyridinecarboxaldehyde, 98%(872-85-5)
[Alfa Aesar]

Pyridine-4-carboxaldehyde, 97%(872-85-5)
[Sigma Aldrich]

872-85-5(sigmaaldrich)
[TCI AMERICA]

4-Pyridinecarboxaldehyde,>96.0%(GC)(872-85-5)
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