CAS 30766-12-2 Methyl 5-hydroxypyridine-2-carboxylate (HCID 4715126)

基本情報

CAS: 30766-12-2
標準SMILES: COC(=O)c1ccc(O)cn1
InChIKey: YYAYXDDHGPXWTA-UHFFFAOYSA-N
分子式: C7H7NO3
平均分子量: 153.14 g/mol
単同位体質量: 153.04259308

名称と識別子

優先名称: Methyl 5-hydroxypyridine-2-carboxylate
IUPAC: methyl 5-hydroxypyridine-2-carboxylate
現地名: 5-ヒドロキシ-2-ピリジンカルボン酸メチル
英語名: 5-HYDROXY-PYRIDINE-2-CARBOXYLIC ACID METHYL ESTER
分子式: C7H7NO3
分子量: 153.14

名称と別名

30766-12-2methyl 5-hydroxypyridine-2-carboxylateDTXSID80405832RefChem:817113DTXCID90356684857-630-1Methyl 5-hydroxypicolinate5-Hydroxy-pyridine-2-carboxylic acid methyl esterMFCD052564262-PYRIDINECARBOXYLIC ACID, 5-HYDROXY-, METHYL ESTERMETHYL 5-HYDROXY-2-PYRIDINECARBOXYLATESCHEMBL164488

名称をさらに表示

5-ヒドロキシ-2-ピリジンカルボン酸メチルH57157Methyl 5-hydroxypyridine-...Methyl 5-hydroxy-2-picolinateMethyl 5-hydroxypyridine-2-ca5-HDROXY-PYRIDINE-2-CARBOXYLIC ACID METHYMethyl 5-hydroxypyridine-2-carboxylate ,97%Methyl 5-hydroxypyridine-2-carboxylate 95+%

5-hydroxypicolinic acid methyl ester5-HYDROXY-2-PYRIDINECARBOXYLIC ACID METHYL ESTERAS-5315EN300-316372methyl 5-hydroxypicolinate;H571575-Hydroxypyridine-2-carboxylic acid methyl esterorb1303263SCHEMBL31463324

データベース識別子

CAS: 30766-12-2
PubChem CID: 4715126
DTXSID: DTXSID80405832
EC Number: 857-630-1

物性

構造計算による物性

XLogP: 0
極性表面積: 59.4 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 149

物理化学的性質

融点: 193.5 · 193.5-195.5℃
沸点: 374.2 · 374.2±22.0 °C(Predicted)
比重(密度): 1.287 · 1.287±0.06 g/cm3(Predicted)
貯蔵温度: Inert atmosphere,Room Temperature
外見: solid
酸解離定数(Pka): 8.29 · 8.29±0.10(Predicted)
色: Pale yellow

化学的性質

化学的特性Yellow solid

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.