Pyrimidin-5-ol 分子结构式
HCID565855

Pyrimidin-5-ol

C4H4N2O96.09 g/molCAS 26456-59-7

IDENTITY

结构与身份

标准SMILES
Oc1cncnc1
InChIKey
LTXJLQINBYSQFU-UHFFFAOYSA-N
分子式
C4H4N2O
平均分子量
96.09 g/mol
单同位素质量
96.03236276

COMPUTED

结构计算性质

已同步
XLogP
-0.4
极性表面积
46 Ų
氢键供体
1
氢键受体
3
可旋转键
0
重原子
7
形式电荷
0
复杂度
51

GHS

GHS分类

来源:PubChem
GHS Classification

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (100%): 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 2 reports by companies from 2 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.

HAZARDS

危害信息

来源:PubChem
Hazard Classes and Categories

Acute Tox. 4 (50%);Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);STOT SE 3 (100%)

ALIASES

名称与别名

共 33 条
pyrimidin-5-ol26456-59-75-PyrimidinolDTXSID20902471RefChem:870916DTXCID001081910820-362-05-Hydroxypyrimidine284682-27-5MFCD064125625-Hydroxypyrimidine CH3COOH Saltpyrimidine, 5-hydroxy-(pyrimidin-5-yl)oxidanylSCHEMBL147677SCHEMBL150007SCHEMBL533401orb2893365SCHEMBL12471301TN8662AKOS006282730

REACTIONS

参与反应

19
HRID 40568 反应方程式

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08530460B2

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HRID 161314 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID 172116 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID 873085 反应方程式

uspto-grants-2015_03 · 10.6084/m9.figshare.5104873.v1 · US08975400B2

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HRID 920334 反应方程式

uspto-grants-2016_03 · 10.6084/m9.figshare.5104873.v1 · US09273054B2

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HRID 1045813 反应方程式

uspto-grants-2013_10 · 10.6084/m9.figshare.5104873.v1 · US08569308B2

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HRID 1470719 反应方程式

uspto-grants-2015_04 · 10.6084/m9.figshare.5104873.v1 · US09006450B2

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HRID 1525838 反应方程式

uspto-grants-2015_07 · 10.6084/m9.figshare.5104873.v1 · US09085562B2

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