4-Fluoro-3-(trifluoromethyl)benzyl bromide 分子结构式
HCID2737577

4-Fluoro-3-(trifluoromethyl)benzyl bromide

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

C8H5BrF4257.02 g/molCAS 184970-26-1

IDENTITY

结构与身份

标准SMILES
Fc1ccc(CBr)cc1C(F)(F)F
InChIKey
JVQDTRQMKZMBAU-UHFFFAOYSA-N
分子式
C8H5BrF4
平均分子量
257.02 g/mol
单同位素质量
255.95108

COMPUTED

结构计算性质

已同步
XLogP
3.5
极性表面积
0 Ų
氢键供体
0
氢键受体
4
可旋转键
1
重原子
13
形式电荷
0
复杂度
168

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H301 (14.3%): Toxic if swallowed [Danger Acute toxicity, oral];H311 (14.3%): Toxic in contact with skin [Danger Acute toxicity, dermal];H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H319 (28.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H330 (14.3%): Fatal if inhaled [Danger Acute toxicity, inhalation];H335 (28.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P320, P321, P330, P337+P317, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 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. 3 (14.3%);Acute Tox. 3 (14.3%);Skin Corr. 1B (100%);Eye Irrit. 2 (28.6%);Acute Tox. 2 (14.3%);STOT SE 3 (28.6%)

ALIASES

名称与别名

共 24 条
184970-26-14-Fluoro-3-(trifluoromethyl)benzyl bromide4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzeneDTXSID40372157RefChem:523189DTXCID50323190642-605-8MFCD000611774-fluoro-3-trifluoromethylbenzyl bromideBenzene, 4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)-SCHEMBL118433SCHEMBL29766263SBB070885AKOS005255370AC-9749PS-99484-fluoro-3-trifluoromethyl benzyl bromideSY021819DB-0237881-bromomethyl-4-fluoro-3-trifluoromethyl-benzene

REACTIONS

参与反应

17
HRID 589599 反应方程式

uspto-grants-2016_01 · 10.6084/m9.figshare.5104873.v1 · US09233947B2

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HRID 949538 反应方程式

Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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HRID 1020740 反应方程式

uspto-grants-2014_05 · 10.6084/m9.figshare.5104873.v1 · US08716473B2

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HRID 1063730 反应方程式

uspto-grants-2005_11 · 10.6084/m9.figshare.5104873.v1 · US06964983B2

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HRID 1511498 反应方程式

uspto-grants-2012_07 · 10.6084/m9.figshare.5104873.v1 · US08216547B2

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HRID 1511501 反应方程式

uspto-grants-2012_07 · 10.6084/m9.figshare.5104873.v1 · US08216547B2

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HRID 1549245 反应方程式

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

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HRID 1912590 反应方程式

uspto-grants-2013_12 · 10.6084/m9.figshare.5104873.v1 · US08609653B2

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