1-(2,6-Difluorophenyl)ethan-1-one 分子结构式
HCID83643

1-(2,6-Difluorophenyl)ethan-1-one

1-(2,6-difluorophenyl)ethanone

C8H6F2O156.13 g/molCAS 13670-99-0

IDENTITY

结构与身份

标准SMILES
CC(=O)c1c(F)cccc1F
InChIKey
VGIIILXIQLXVLC-UHFFFAOYSA-N
分子式
C8H6F2O
平均分子量
156.13 g/mol
单同位素质量
156.03867113

COMPUTED

结构计算性质

已同步
XLogP
1.8
极性表面积
17.1 Ų
氢键供体
0
氢键受体
3
可旋转键
1
重原子
11
形式电荷
0
复杂度
148

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 49 reports by companies from 8 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 38 条
13670-99-01-(2,6-Difluorophenyl)ethanone1-(2,6-Difluorophenyl)ethan-1-oneEINECS 237-151-9DTXSID10159891RefChem:420669DTXCID3082382237-151-92',6'-Difluoroacetophenone2,6-DifluoroacetophenoneEthanone, 1-(2,6-difluorophenyl)-MFCD00000328Acetophenone, 2',6'-difluoro-1-acetyl-2,6-difluorobenzene2`,6`-Difluoroacetophenone2',6'-difluoro acetophenoneSCHEMBL167447SCHEMBL20956592',6'-Difluoroacetophenone, 97%1-(2,6-Difluoro-phenyl)-ethanone

REACTIONS

参与反应

47
HRID 830 反应方程式

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05723413

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HRID 25011 反应方程式

uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06858602B2

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HRID 251542 反应方程式

uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07863475B2

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HRID 406597 反应方程式

uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08754115B2

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HRID 450872 反应方程式

uspto-grants-2013_07 · 10.6084/m9.figshare.5104873.v1 · US08487000B2

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HRID 463898 反应方程式

uspto-grants-1985_10 · 10.6084/m9.figshare.5104873.v1 · US04544753

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HRID 496708 反应方程式

uspto-grants-2005_09 · 10.6084/m9.figshare.5104873.v1 · US06946491B2

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HRID 571697 反应方程式

uspto-grants-2015_05 · 10.6084/m9.figshare.5104873.v1 · US09029362B2

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