5-ヒドロキシピコリンアルデヒド

5-Hydroxy-2-pyridinecarboxaldehyde

HCID 278389CAS 31191-08-9

部分構造検索類似構造を探す

基本情報

標準SMILES: O=Cc1ccc(O)cn1
InChIKey: HSODMUBHOXGNNQ-UHFFFAOYSA-N
分子式: C6H5NO2
平均分子量: 123.11 g/mol
単同位体質量: 123.0320284

名称と識別子

優先名称: 5-Hydroxy-2-pyridinecarboxaldehyde
IUPAC: 5-hydroxypyridine-2-carbaldehyde
現地名: 5-ヒドロキシピコリンアルデヒド
英語名: 5-hydroxypyridine-2-carbaldehyde
分子式: C6H5NO2
分子量: 123.11

名称と別名

5-HYDROXY-2-PYRIDINECARBOXALDEHYDERefChem:536195826-139-45-hydroxypicolinaldehyde31191-08-95-hydroxypyridine-2-carbaldehyde5-Hydroxypyridine-2-carboxaldehydeMFCD106975385-hydroxy-2-formylpyridine2-Formyl-5-hydroxypyridine2-Pyridinecarboxaldehyde, 5-hydroxy-5-hydroxypyridin-2-carboxaldehyde

名称をさらに表示

5-ヒドロキシピコリンアルデヒドNSC 129151NSC 1279483-fluoropropanoic5-HYDROXYPYRIDINE-2-CARBAL

5-Hydroxy-pyridine-2-carbaldehydeNSC127948Picolinaldehyde, dimer5-HYDROXY-2-PYRIDINECARBALDEHYDE6-Formyl-3-pyridinol2-formyl-5-hydroxy pyridineSCHEMBL179115SCHEMBL941512

データベース識別子

CAS: 31191-08-9
PubChem CID: 278389
DTXSID: DTXSID50299068
EC Number: 826-139-4
Nikkaji: J3.027.895J

物性

構造計算による物性

XLogP: 0.3
極性表面積: 50.2 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 9
形式電荷: 0
複雑度: 105

物理化学的性質

融点: 223 · 223-225 °C (decomp)
沸点: 363.5 · 363.5±22.0 °C(Predicted)
比重(密度): 1.327 · 1.327±0.06 g/cm3 (20 ºC 760 Torr)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
酸解離定数(Pka): 3.17 · 3.17±0.18(Predicted)
外見: solid
色: Light brown to brown

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (60%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.