5-Fluoro-2-nitrobenzotrifluoride 分子结构式
HCID223094

5-Fluoro-2-nitrobenzotrifluoride

4-fluoro-1-nitro-2-(trifluoromethyl)benzene

C7H3F4NO2209.1 g/molCAS 393-09-9

IDENTITY

结构与身份

标准SMILES
O=[N+]([O-])c1ccc(F)cc1C(F)(F)F
InChIKey
WMQOSURXFLBTPC-UHFFFAOYSA-N
分子式
C7H3F4NO2
平均分子量
209.1 g/mol
单同位素质量
209.00999099

COMPUTED

结构计算性质

已同步
XLogP
3.3
极性表面积
45.8 Ų
氢键供体
0
氢键受体
6
可旋转键
0
重原子
14
形式电荷
0
复杂度
225

GHS

GHS分类

来源:PubChem
GHS Classification

Warning

H302 (16.7%): 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];H332 (16.7%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (87.5%): 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, P317, 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 48 reports by companies from 7 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 (16.7%);Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);Acute Tox. 4 (16.7%);STOT SE 3 (87.5%)

ALIASES

名称与别名

共 40 条
5-Fluoro-2-nitrobenzotrifluoride393-09-94-Fluoro-1-nitro-2-(trifluoromethyl)benzeneWMQOSURXFLBTPC-UHFFFAOYSA-DTXSID00278843RefChem:535849DTXCID80229999609-643-7InChI=1/C7H3F4NO2/c8-4-1-2-6(12(13)14)5(3-4)7(9,10)11/h1-3H2-Nitro-alpha,alpha,alpha,5-tetrafluorotoluene1-FLUORO-3-TRIFLUOROMETHYL-4-NITROBENZENEBENZENE, 4-FLUORO-1-NITRO-2-(TRIFLUOROMETHYL)-MFCD00039741393-86-24-fluoro-2-(trifluoromethyl)nitrobenzene2-nitro-5-fluorobenzotrifluorideNSC10304SCHEMBL377777SCHEMBL297885205-fluoro-2-nitrobenzo-trifluoride

REACTIONS

参与反应

70
HRID 114211 反应方程式

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

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HRID 160345 反应方程式

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

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HRID 169219 反应方程式

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

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HRID 184462 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID 335390 反应方程式

uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08884018B2

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HRID 335391 反应方程式

uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08884018B2

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HRID 335392 反应方程式

uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08884018B2

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HRID 383396 反应方程式

uspto-grants-2013_02 · 10.6084/m9.figshare.5104873.v1 · US08367660B2

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