1-(2-Bromoethyl)-3-fluorobenzene 分子结构式
HCID573129

1-(2-Bromoethyl)-3-fluorobenzene

C8H8BrF203.05 g/molCAS 25017-13-4

IDENTITY

结构与身份

标准SMILES
Fc1cccc(CCBr)c1
InChIKey
GLVSPVSJMYQIPJ-UHFFFAOYSA-N
分子式
C8H8BrF
平均分子量
203.05 g/mol
单同位素质量
201.97934

COMPUTED

结构计算性质

已同步
XLogP
3.4
极性表面积
0 Ų
氢键供体
0
氢键受体
1
可旋转键
2
重原子
10
形式电荷
0
复杂度
95

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (60%): Harmful if swallowed [Warning Acute toxicity, oral];H311 (20%): Toxic in contact with skin [Danger Acute toxicity, dermal];H312 (40%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (40%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (60%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H331 (20%): Toxic if inhaled [Danger Acute toxicity, inhalation];H332 (40%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (40%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H400 (20%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (20%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 5 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 (20%);Acute Tox. 4 (60%);Acute Tox. 3 (20%);Acute Tox. 4 (40%);Skin Irrit. 2 (40%);Eye Irrit. 2A (60%);Acute Tox. 3 (20%);Acute Tox. 4 (40%);STOT SE 3 (40%);Aquatic Acute 1 (20%);Aquatic Chronic 1 (20%)

ALIASES

名称与别名

共 35 条
1-(2-Bromoethyl)-3-fluorobenzeneRefChem:421646671-146-625017-13-43-Fluorophenethyl Bromide2-(3-fluorophenyl)ethylbromide2-(3-Fluorophenyl)ethyl BromideBenzene, 1-(2-bromoethyl)-3-fluoro-MFCD030953971-Bromo-2-(3-fluorophenyl)ethane1-(2-bromo-ethyl)-3-fluoro-benzene3-fluorophenethylbromide3-(2-Bromoethyl)fluorobenzene3-(fluoro)phenethyl bromideSCHEMBL931383SCHEMBL27330484SCHEMBL27780969SCHEMBL28362772SCHEMBL28783487SCHEMBL30186558

REACTIONS

参与反应

30
HRID 80625 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846670B2

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HRID 88133 反应方程式

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

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HRID 197132 反应方程式

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

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HRID 289864 反应方程式

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

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HRID 310548 反应方程式

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

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HRID 548169 反应方程式

uspto-grants-2011_05 · 10.6084/m9.figshare.5104873.v1 · US07939671B2

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HRID 624003 反应方程式

uspto-grants-2016_04 · 10.6084/m9.figshare.5104873.v1 · US09303023B2

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HRID 658736 反应方程式

uspto-grants-2011_12 · 10.6084/m9.figshare.5104873.v1 · US08076491B2

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