2H-Benzimidazol-2-one, 1,3-dihydro-1-phenyl- 分子结构式
HCID84657

2H-Benzimidazol-2-one, 1,3-dihydro-1-phenyl-

3-phenyl-1H-benzimidazol-2-one

C13H10N2O210.23 g/molCAS 14813-85-5

IDENTITY

结构与身份

标准SMILES
O=c1[nH]c2ccccc2n1-c1ccccc1
InChIKey
OLMPQQPQSTVRPB-UHFFFAOYSA-N
分子式
C13H10N2O
平均分子量
210.23 g/mol
单同位素质量
210.07931295

COMPUTED

结构计算性质

已同步
XLogP
2.3
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
16
形式电荷
0
复杂度
273

GHS

GHS分类

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

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 44 条
14813-85-52H-Benzimidazol-2-one, 1,3-dihydro-1-phenyl-1,3-Dihydro-1-phenyl-2H-benzimidazol-2-one1-phenyl-2,3-dihydro-1H-1,3-benzodiazol-2-oneDTXSID20163888RefChem:484249DTXCID2086379849-576-21-Phenyl-1H-benzo[d]imidazol-2(3H)-one3-phenyl-1H-benzimidazol-2-oneMFCD016588031-Phenylbenzimidazolin-2-one1-phenyl-1,3-dihydro-benzoimidazol-2-one2-Benzimidazolinone, 1-phenyl-1-Phenylbenzimidazole deriv. 521-Phenylbenzimidazolon1-Phenyl-2,3-dihydro-1H-benzimidazole-2-one1-Phenyl-2-benzimidazolinonehydroxyphenyl 1h benzimidazoleSCHEMBL699273

REACTIONS

相关反应

7
HRID 166667 反应方程式

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

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HRID 261785 反应方程式

uspto-grants-1979_05 · 10.6084/m9.figshare.5104873.v1 · US04152434

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HRID 355040 反应方程式

uspto-grants-1983_03 · 10.6084/m9.figshare.5104873.v1 · US04377695

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HRID 355041 反应方程式

uspto-grants-1983_03 · 10.6084/m9.figshare.5104873.v1 · US04377695

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HRID 692142 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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HRID 1546656 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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HRID 1634023 反应方程式

uspto-grants-2003_01 · 10.6084/m9.figshare.5104873.v1 · US06506738B1

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