4'-Fluoro-2'-hydroxyacetophenone 分子结构式
HCID2737326

4'-Fluoro-2'-hydroxyacetophenone

1-(4-fluoro-2-hydroxyphenyl)ethanone

C8H7FO2154.14 g/molCAS 1481-27-2

IDENTITY

结构与身份

标准SMILES
CC(=O)c1ccc(F)cc1O
InChIKey
HLTBTUXAMVOKIH-UHFFFAOYSA-N
分子式
C8H7FO2
平均分子量
154.14 g/mol
单同位素质量
154.04300762

COMPUTED

结构计算性质

已同步
XLogP
2.1
极性表面积
37.3 Ų
氢键供体
1
氢键受体
3
可旋转键
1
重原子
11
形式电荷
0
复杂度
158

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 (98%): 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 50 reports by companies from 9 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

Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);STOT SE 3 (98%)

ALIASES

名称与别名

共 42 条
4'-Fluoro-2'-hydroxyacetophenone1481-27-21-(4-fluoro-2-hydroxyphenyl)ethanone4-Fluoro-2-hydroxyacetophenone1-(4-fluoro-2-hydroxyphenyl)ethan-1-oneEthanone, 1-(4-fluoro-2-hydroxyphenyl)-MFCD001432031-(4-fluoro-2-hydroxy-phenyl)ethanone1-acetyl-4-fluoro-2-hydroxybenzene1-(2-Hydroxy-4-fluorophenyl)ethanone1-[2-hydroxy-4-fluorophenyl]ethanone4/'-Fluoro-2/'-hydroxyacetophenone2-acetyl-5-fluorophenolSCHEMBL5374884'-fluoro-2'hydroxyacetophenoneSCHEMBL29797486DTXSID30371992CL8668SBB063885AKOS005207270

REACTIONS

参与反应

55
HRID 9257 反应方程式

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07091235B2

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HRID 89410 反应方程式

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

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HRID 102956 反应方程式

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

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HRID 273484 反应方程式

uspto-grants-2008_11 · 10.6084/m9.figshare.5104873.v1 · US07456288B2

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HRID 277361 反应方程式

uspto-grants-2002_03 · 10.6084/m9.figshare.5104873.v1 · US06355796B1

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HRID 369591 反应方程式

uspto-grants-2000_10 · 10.6084/m9.figshare.5104873.v1 · US06140270

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HRID 409523 反应方程式

uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08759390B2

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HRID 428388 反应方程式

uspto-grants-2001_11 · 10.6084/m9.figshare.5104873.v1 · US06313295B1

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