HCID20111745

5-Fluoro-2-methoxybenzyl bromide

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

C8H8BrFO219.05 g/molCAS 700381-18-6

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IDENTITY

结构与身份

标准SMILES: COc1ccc(F)cc1CBr
InChIKey: LXUGHXUXEMUEKR-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 Å²
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 5 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.

ALIASES

名称与别名

共 22 条

5-Fluoro-2-methoxybenzyl bromideRefChem:535818679-174-0700381-18-62-(bromomethyl)-4-fluoro-1-methoxybenzeneMFCD006717692-bromomethyl-4-fluoro-1-methoxybenzene5-FLUORO-2-METHOXYBENZYL BROMIDE 972-Methyloxy-5-fluorobenzyl bromideSCHEMBL1663130SCHEMBL30200200DTXSID60602584LXUGHXUXEMUEKR-UHFFFAOYSA-NCK2017SBB095700AKOS005254292CS-W007038DS-61282-Bromomethyl-4-fluoro-1-methoxy-benzene2-(bromomethyl)-4-fluoro-1-methoxy-benzene

REACTIONS

参与反应

2 条

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

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uspto-grants-2009_09 · 10.6084/m9.figshare.5104873.v1 · US07595315B2

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