2-ピリジンカルボキシアルデヒド

2-Pyridinecarboxaldehyde

HCID 14273CAS 1121-60-4

基本情報

標準SMILES
O=Cc1ccccn1
InChIKey
CSDSSGBPEUDDEE-UHFFFAOYSA-N
分子式
C6H5NO
平均分子量
107.11 g/mol
単同位体質量
107.03711378

概要

2-formylpyridine is a pyridinecarbaldehyde that is pyridine in which the hydrogen at position 2 is replaced by a formyl group.

名称と識別子

優先名称
2-Pyridinecarboxaldehyde
IUPAC
pyridine-2-carbaldehyde
現地名
2-ピリジンカルボキシアルデヒド
英語名
2-Pyridinecarboxaldehyde
分子式
C6H5NO
分子量
107.11

名称と別名

2-PyridinecarboxaldehydePicolinaldehyde1121-60-4Pyridine-2-carbaldehyde2-FormylpyridinePyridine-2-aldehyde2-Picolinaldehyde2-Pyridaldehydeo-NicotinaldehydePicolinic aldehyde2-Picolinealdehyde2-Pyridylaldehyde
名称をさらに表示
2-ピリジンカルボキシアルデヒドピリジン-2-アルデヒドピコリンアルデヒドピリジン-2-カルボアルデヒド2-ピコリンアルデヒド2-ホルミルピリジン2-ピリジンカルボアルデヒドピリジン-2-カルバルデヒドピリジン2カルバルデヒド2-ピリジンカルボキシアルデヒド ピコリンアルデヒド2‐ピリジンカルボキシアルデヒド2-ピリジンカルバルデヒドピリジン-2-カルボキシアルデヒドピリジン-2-カルブアルデヒドピリジン-2-カルボキシアルデヒド, 99%PYRIDINE-2-CARBOXALDEHYDE2-Pyridinecarboxyaldehyde2-PAPicolinal2-PYRIDINECARBALDEHYDEPyridine-2-formaldehyde
2-Pyridylcarboxaldehydealpha-PicolinaldehydeKH86K8FHZ2NSC-8951DTXSID1061522CHEBI:73012RefChem:870728DTXCID3033276

データベース識別子

CAS
1121-60-4、26445-06-7
PubChem CID
14273
DTXSID
DTXSID1061522
ChEMBL
CHEMBL274794
ChEBI
CHEBI:73012
UNII
KH86K8FHZ2
EC Number
214-333-6
Nikkaji
J28.014C

物性

構造計算による物性

XLogP
0.4
極性表面積
30 Ų
水素結合供与体数
0
水素結合受容体数
2
回転可能結合数
1
重原子数
8

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Pyridines
SpringerMaterials PropertiesSchoenflies notation
LogP0.44
Vapor Pressure0.56 [mmHg]
Physical DescriptionYellow liquid; [Alfa Aesar MSDS]

物理化学的性質

融点
-21 · -21--22°C
沸点
181 °C · 181 °C(lit.)
比重(密度)
1.126 g/mL · 1.126 g/mL at 25 °C(lit.)
蒸気圧
73 Pa · 73Pa at 20℃
屈折率
20 · n20/D 1.536(lit.)
闪点
130 °F · 130 °F

化学的性質

化学的特性Yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H226 (17.1%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P333+P317, P362+P364, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 76 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: 2-Pyridinecarboxaldehyde

Status: Cease Manufacture Update: 10-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/25571

2-Pyridinecarbaldehyde: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 件

An irritant that may cause serious eye injury; May cause skin sensitization; Harmful by ingestion; Toxic by inhalation; [Alfa Aesar MSDS] Search for (1121-60-4[EC/RN Number]) AND (sensitizer OR sensitization OR allergic) found no results; [PubMed) See Pyridine.

Hazard Classes and CategoriesFlam. Liq. 3 (17.1%)

毒性情報

Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.
Toxicity DataLC50 (rat) = 800 mg/m3/4hr

安全データ

F
8-10-23
wgk
3
tsca
TSCA listed
ridadr
UN 1989 3/PG 3
hs_code
29333999
risk_code
10-22-36/37/38-51/53-46-43-34-23-52

化学と産業

用途と製造

General Manufacturing Information2-Pyridinecarboxaldehyde: ACTIVE
応用分野 · 2 件

用途有機合成原料。

使用2-Pyridinecarboxaldehyde has been used:To synthesize chitosan based bifunctionalized adsorbent.In the aldol addition reaction with pyruvate in the presence of 2-keto-3-deoxy-6-phosphogluconate aldolase (KDPG) catalyst to form (S)-4-hydroxy-2-keto-4-(2′-pyridyl)butyrate.In the condensation reaction with (S)-()-α-methylbenzylamine and (R)-(+)-α-methylbenzylamine to synthesize two chiral (S)-()- and (R)-(+)Schiff base compounds.It can also be combined with thiosemicarbazide to form 2-pyridinecarboxaldehyde thiosemicarbazone ligand (L) which can further complex with Ni(II) and Cu(II) salts (MX) to form [M(L)2X2] complexes.

調製方法 · 1 件

純化方法Purification is achieved by bubbling sulfur dioxide into a solution of 50g of the aldehyde in 250mL of boiled water, under nitrogen, at 0o, until precipitation is complete. The bisulfite addition compound is filtered off rapidly and, after washing with a little water, is refluxed in 17% HCl (200mL) under nitrogen until a clear solution is obtained. Neutralisation with NaHCO3 and extraction with ether separated the aldehyde which is recovered by drying the extract, then distilling twice, under nitrogen. [Kyte et al. J Chem Soc 4454 1960, Beilstein 21 I 287, 21 III/IV 3495, 21/7 V 293.]

サプライヤー1 社

上海相辉医药科技有限公司13611835272 13611835272 · [email protected]

補足説明

定義ChEBI: 2-Pyridinecarboxaldehyde is a pyridinecarbaldehyde that is pyridine in which the hydrogen at position 2 is replaced by a formyl group.

関連反応

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