2-甲酰基-5-羟基吡啶

5-Hydroxy-2-pyridinecarboxaldehyde

HCID 278389CAS 31191-08-9

子结构检索查找相似结构

基本信息

标准SMILES: O=Cc1ccc(O)cn1
InChIKey: HSODMUBHOXGNNQ-UHFFFAOYSA-N
分子式: C6H5NO2
平均分子量: 123.11 g/mol
单同位素质量: 123.0320284

名称与标识

首选名称: 5-Hydroxy-2-pyridinecarboxaldehyde
IUPAC: 5-hydroxypyridine-2-carbaldehyde
中文名: 2-甲酰基-5-羟基吡啶
英文名: 5-hydroxypyridine-2-carbaldehyde
分子式: C6H5NO2
分子量: 123.11

名称与别名

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

展开更多名称

5-羟基-2-吡啶甲醛2-甲醛基-5-羟基吡啶2-甲酰基-5-羟基吡啶5 - 羟基吡啶-2 - 甲醛NSC 129151NSC 1279483-fluoropropanoic5-HYDROXYPYRIDINE-2-CARBAL

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

数据库标识

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

性质

结构计算性质

XLogP: 0.3
极性表面积: 50.2 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 1
重原子: 9
形式电荷: 0
复杂度: 105

物理化学性质

熔点: 223 · 223-225 °C (decomp)
沸点: 363.5 · 363.5±22.0 °C(Predicted)
密度: 1.327 · 1.327±0.06 g/cm3 (20 ºC 760 Torr)
储存条件: 2 · under inert gas (nitrogen or Argon) at 2-8°C
酸度系数(pKa): 3.17 · 3.17±0.18(Predicted)
形态: solid
颜色: Light brown to brown

安全与法规

GHS分类

GHS Classification · 5 条

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.