4-Fluoro-3-methoxybenzyl bromide 分子结构式
HCID17989267

4-Fluoro-3-methoxybenzyl bromide

4-(bromomethyl)-1-fluoro-2-methoxybenzene

C8H8BrFO219.05 g/molCAS 141080-73-1

IDENTITY

结构与身份

标准SMILES
COc1cc(CBr)ccc1F
InChIKey
XRLJROQMXLOJFO-UHFFFAOYSA-N
分子式
C8H8BrFO
平均分子量
219.05 g/mol
单同位素质量
217.97426

COMPUTED

结构计算性质

已同步
XLogP
2.6
极性表面积
9.2 Ų
氢键供体
0
氢键受体
2
可旋转键
2
重原子
11
形式电荷
0
复杂度
121

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.;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 Corr. 1B (100%)

ALIASES

名称与别名

共 24 条
4-fluoro-3-methoxybenzyl bromideRefChem:523217691-572-6141080-73-14-(bromomethyl)-1-fluoro-2-methoxybenzene4-Fluoro-3-methoxybenzylbromideBenzene, 4-(bromomethyl)-1-fluoro-2-methoxy-MFCD049728784-Bromomethyl-1-fluoro-2-methoxy-benzene4-bromomethyl-1-fluoro-2-methoxybenzeneSCHEMBL3162853DTXSID00591988XRLJROQMXLOJFO-UHFFFAOYSA-NCL8729SBB054903AKOS005255775AS-46089SY104025DB-0068094-(bromomethyl)-1-fluoro-2-methoxy-benzene

REACTIONS

参与反应

5
HRID 298868 反应方程式

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

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HRID 629449 反应方程式

uspto-grants-2016_04 · 10.6084/m9.figshare.5104873.v1 · US09315458B2

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HRID 1443272 反应方程式

uspto-grants-2010_02 · 10.6084/m9.figshare.5104873.v1 · US07659297B2

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HRID 1444539 反应方程式

uspto-grants-2010_02 · 10.6084/m9.figshare.5104873.v1 · US07662821B2

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HRID 1869453 反应方程式

uspto-grants-2009_12 · 10.6084/m9.figshare.5104873.v1 · US07638515B2

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