HCID108578

5-Chloro-2(1H)-pyrimidinone

5-chloro-1H-pyrimidin-2-one

C4H3ClN2O130.53 g/molCAS 54326-16-8

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: O=c1ncc(Cl)c[nH]1
InChIKey: OCSYCDVQABSEPJ-UHFFFAOYSA-N
分子式: C4H3ClN2O
平均分子量: 130.53 g/mol
单同位素质量: 129.9933904

COMPUTED

结构计算性质

已同步

XLogP: 0.1
极性表面积: 41.5 Å²
氢键供体: 1
氢键受体: 1
可旋转键: 0
重原子: 8
形式电荷: 0
复杂度: 173

GHS

GHS分类

GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

HAZARDS

危害信息

Hazard Classes and Categories

Acute Tox. 4 (100%)

USES

用途与制造

General Manufacturing Information

2(1H)-Pyrimidinone, 5-chloro-: INACTIVE

ALIASES

名称与别名

共 37 条

5-Chloro-2-hydroxypyrimidine54326-16-82(1H)-Pyrimidinone, 5-chloro-5-Chloropyrimidin-2-one5-Chloro-2(1H)-pyrimidinoneS38KEL5AQRDTXSID0068947RefChem:102399DTXCID6041686259-106-25-chloropyrimidin-2-ol5-Chloropyrimidin-2(1H)-one5-Chloro-1H-pyrimidin-2-one214290-50-35-Chloro-2-hydroxy-pyrimidineMFCD001297235-CHLORO-2-PYRIMIDINOLNY 30002-Pyrimidinol, 5-chloro- (9CI)EINECS 259-106-2

REACTIONS

相关反应

95 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看

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

查看

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

查看

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

查看

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

查看

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

查看