4-ピリジンカルボキシアルデヒド(872-85-5)

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4-ピリジンカルボキシアルデヒド 製品概要
化学名:4-ピリジンカルボキシアルデヒド
英語化学名:4-Pyridinecarboxaldehyde
别名:4-Formylpyrdine;4-Pyridinealdehyde;4-Pyridylaldehyde;Pyridin-4-al;4-Pyridinecarboxaldehyde ,98%;Isonicotinaldehyde (4-Pyridinecarboxaldehyde);4-Pyridinecarboxaldehyde,Isonicotinaldehyde;isonicotinicaldehyde
CAS番号:872-85-5
分子式:C6H5NO
分子量:107.11
EINECS:212-832-3
カテゴリ情報:Heterocycle-Pyridine series;Building Blocks;C1 to C6;C6;Chemical Synthesis;Heterocyclic Building Blocks;Organic Building Blocks;Aldehydes;Pyridines;Alcohol Aldehyde & acid series;Intermediates of Donepezil;Pyridine;Carbonyl Compounds;Heterocycles;bc0001;872-85-5;john's
Mol File:872-85-5.mol
4-ピリジンカルボキシアルデヒド
4-ピリジンカルボキシアルデヒド 物理性質
融点 -4--2°C
沸点 71-73 °C/10 mmHg (lit.)
比重(密度) 1.137 g/mL at 20 °C (lit.)
蒸気圧0.02 hPa (20 °C)
屈折率 n20/D 1.544(lit.)
闪点 130 °F
貯蔵温度 Store at +2°C to +8°C.
溶解性20g/l
酸解離定数(Pka)12.05(at 30℃)
外見 liquid (clear)
clear brown-yellow
PH7-8 (H2O, 20℃)(saturated aqueous solution)
水溶解度 20 g/L (20 ºC)
Sensitive Air Sensitive
BRN 105342
InChIKeyBGUWFUQJCDRPTL-UHFFFAOYSA-N
LogP0.12 at 30℃ and pH7
CAS データベース872-85-5(CAS DataBase Reference)
NISTの化学物質情報4-Pyridinecarboxaldehyde(872-85-5)
EPAの化学物質情報4-Pyridinecarboxaldehyde (872-85-5)
安全性情報
主な危険性 Xi,F
Rフレーズ 36/37/38-10
Sフレーズ 26-36-36/37/39-16
RIDADR UN 1989
WGK Germany 1
RTECS 番号NR9400000
8-10-23
Hazard Note Irritant/Keep Cold/Air Sensitive
TSCA Yes
国連危険物分類 3.2
容器等級 III
HSコード 29333999
毒性LD50 orally in Rabbit: 2355 mg/kg LD50 dermal Rat > 2000 mg/kg
MSDS Information
ProviderLanguage
Isonicotinaldehyde English
SigmaAldrich English
ACROS English
ALFA English
4-ピリジンカルボキシアルデヒド Usage And Synthesis
化学的特性clear yellow-brown liquid. soluble in water and ether.
使用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.

使用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.
製造方法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
純化方法Purified as for pyridine-2-aldehyde. [Beilstein 21 III/IV 2529, 21/7 V 351.]
Tags:872-85-5