CAS 13472-79-2 2-Hydroxy-5-iodopyridine (HCID 459500)

基本情報

CAS: 13472-79-2
標準SMILES: O=c1ccc(I)c[nH]1
InChIKey: ZDJUNNCVIDKJAN-UHFFFAOYSA-N
分子式: C5H4INO
平均分子量: 221 g/mol
単同位体質量: 220.93376

名称と識別子

優先名称: 2-Hydroxy-5-iodopyridine
IUPAC: 5-iodo-1H-pyridin-2-one
現地名: 5-ヨードピリジン-2-オール
英語名: 2-Hydroxy-5-iodopyridine
分子式: C5H4INO
分子量: 221

名称と別名

2-Hydroxy-5-iodopyridine13472-79-2DTXSID80332659RefChem:261746DTXCID20283752626-943-35-iodopyridin-2-ol5-Iodopyridin-2(1H)-one5-iodo-1H-pyridin-2-one13517-31-25-Iodo-pyridin-2-olMFCD00234058

名称をさらに表示

5-ヨード-1,2-ジヒドロピリジン-2-オン5-ヨードピリジン-2-オール2-ヒドロキシ-5-ヨードピリジンヨウ化物2-ヒドロキシ-5-ヨードピリジン5-ヨード-2(1H)-ピリジノン5-ヨード-2-ピリジノール5-ヨード-2-ピリドンZinc025599025-Iodopyridin-2-one5-Iodo pyridine-2-ol5-IODO-2(1H)-PYRIDONE5-Iodo-2-Hydroxypridine5-Iodo-2(1H)-pyridinone

2(1H)-Pyridinone, 5-iodo-5-Jod-2-pyridon5-iodo-2-pyridone5-Iodo-2-pyridinolPyridine, 2-hydroxy-5-iodo-CS-W014749AB05112AS-17779

データベース識別子

CAS: 13472-79-2
PubChem CID: 459500
DTXSID: DTXSID80332659
EC Number: 626-943-3
Nikkaji: J338.582E

物性

構造計算による物性

XLogP: 0.4
極性表面積: 29.1 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 8
形式電荷: 0
複雑度: 171

物理化学的性質

融点: 192 · 192-196 °C (lit.)
沸点: 321.6 · 321.6±35.0 °C(Predicted)
比重(密度): 2.12 · 2.12±0.1 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: 結晶性粉末
酸解離定数(Pka): 10.15 · 10.15±0.10(Predicted)
色: 黄色
水溶解度: 水に不溶。
BRN: 108752 · 108752
InChI: 1S/C5H4INO/c6-4-1-2-5(8)7-3-4/h1-3H,(H,7,8)
InChIKey: ZDJUNNCVIDKJAN-UHFFFAOYSA-N
SMILES: Oc1ccc(I)cn1
CAS データベース: 13472 · 13472-79-2(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (88.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (11.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): 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, P305+P354+P338, P317, 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 45 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.