HCID20695

4-Hydroxypyrimidine

1H-pyrimidin-6-one

C4H4N2O96.09 g/molCAS 4562-27-0

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IDENTITY

结构与身份

标准SMILES: O=c1ccnc[nH]1
InChIKey: DNCYBUMDUBHIJZ-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: -1.4
极性表面积: 41.5 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 0
重原子: 7
形式电荷: 0
复杂度: 137

PROPERTIES

实验与物化性质

来源：PubChem

Vapor Pressure

0.0000664 [mmHg]

Physical Description

White powder; [Alfa Aesar MSDS]

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

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, 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 3 reports by companies from 3 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

Hazards Summary

May cause irritation; [Alfa Aesar MSDS]

Hazard Classes and Categories

Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 107 条

4-Hydroxypyrimidine4-Pyrimidinol4562-27-04-Pyrimidinone4-Pyrimidone4(1H)-PYRIMIDINONEDeaminoisocytosine4-OxopyrimidineK43V90OY4LNSC-1575NSC-157911DTXSID5063524RefChem:5240804-OH-PDTXCID2040442224-932-4pyrimidin-4-ol51953-18-5pyrimidin-4(3H)-one4(3H)-Pyrimidone

REACTIONS

参与反应

28 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID18049

uspto-grants-2010_06

作为反应物

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07741328B2

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HRID214620

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID243675

uspto-grants-2014_02

作为反应物

uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08653260B2

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HRID243676

uspto-grants-2014_02

作为反应物

uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08653260B2

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HRID344680

uspto-grants-1991_10

作为产物、反应物

uspto-grants-1991_10 · 10.6084/m9.figshare.5104873.v1 · US05053411

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HRID887107

uspto-grants-2012_08

作为反应物

uspto-grants-2012_08 · 10.6084/m9.figshare.5104873.v1 · US08247415B2

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HRID887108

uspto-grants-2012_08

作为反应物

uspto-grants-2012_08 · 10.6084/m9.figshare.5104873.v1 · US08247415B2

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HRID891975

uspto-grants-2006_02

作为反应物

uspto-grants-2006_02 · 10.6084/m9.figshare.5104873.v1 · US07005433B2

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