HCID40732

1-(1H-indol-5-yl)ethan-1-one

1-(1H-indol-5-yl)ethanone

C10H9NO159.18 g/molCAS 53330-94-2

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IDENTITY

结构与身份

标准SMILES: CC(=O)c1ccc2[nH]ccc2c1
InChIKey: GOFIUEUUROFVMA-UHFFFAOYSA-N
分子式: C10H9NO
平均分子量: 159.18 g/mol
单同位素质量: 159.06841391

COMPUTED

结构计算性质

已同步

XLogP: 2
极性表面积: 32.9 Å²
氢键供体: 1
氢键受体: 1
可旋转键: 1
重原子: 12
形式电荷: 0
复杂度: 190

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 32 条

1-(1H-indol-5-yl)ethanone1-(1H-Indol-5-yl)ethan-1-oneRefChem:420071676-258-953330-94-25-Acetylindole1-(1H-Indol-5-yl)-ethanoneEthanone, 1-(1H-indol-5-yl)-KETONE, INDOL-5-YL METHYLMFCD004818755-acetyl-1h-indoleAcetyl-5-indoleAcetyl-5-indole [French]BRN 01187135-Indolyl-methylketone5-21-08-00303 (Beilstein Handbook Reference)SCHEMBL120471SCHEMBL19470049DTXSID70201481GOFIUEUUROFVMA-UHFFFAOYSA-N

REACTIONS

参与反应

2 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

HRID10633

uspto-grants-2006_08

作为反应物

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07094801B2

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HRID286418

Training data from https://doi.org/10.1039/C8SC04228D (8/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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