2-Imidazolidinone, 1-(p-chlorophenyl)- 分子结构式
HCID26451

2-Imidazolidinone, 1-(p-chlorophenyl)-

1-(4-chlorophenyl)imidazolidin-2-one

C9H9ClN2O196.63 g/molCAS 14088-99-4

IDENTITY

结构与身份

标准SMILES
O=C1NCCN1c1ccc(Cl)cc1
InChIKey
IZAHIGCYGOLFQV-UHFFFAOYSA-N
分子式
C9H9ClN2O
平均分子量
196.63 g/mol
单同位素质量
196.0403406

COMPUTED

结构计算性质

已同步
XLogP
1.5
极性表面积
32.3 Ų
氢键供体
1
氢键受体
1
可旋转键
1
重原子
13
形式电荷
0
复杂度
202

GHS

GHS分类

来源:PubChem
GHS Classification

Warning

H302 (100%): 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 (100%);Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);STOT SE 3 (100%)

ALIASES

名称与别名

共 28 条
14088-99-41-(4-chlorophenyl)imidazolidin-2-one2-Imidazolidinone, 1-(4-chlorophenyl)-1-(p-Chlorophenyl)-2-imidazolidinoneBRN 01706742-IMIDAZOLIDINONE, 1-(p-CHLOROPHENYL)-AI3-60268DTXSID201614855-24-01-00069 (Beilstein Handbook Reference)RefChem:473538DTXCID9083976830-031-21-(4-chlorophenyl)-2-imidazolidinoneMFCD01721093F2147-0729SCHEMBL2723456IZAHIGCYGOLFQV-UHFFFAOYSA-NSMSSF-0533462CS-D0552PAA08899

REACTIONS

参与反应

5
HRID 49263 反应方程式

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06706739B2

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HRID 866485 反应方程式

uspto-grants-1978_07 · 10.6084/m9.figshare.5104873.v1 · US04099009

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HRID 1603749 反应方程式

uspto-grants-1999_11 · 10.6084/m9.figshare.5104873.v1 · US05990139

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HRID 2127278 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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HRID 2419455 反应方程式

uspto-grants-1978_08 · 10.6084/m9.figshare.5104873.v1 · US04105850

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