HCID77516

2-(Bromomethyl)-1-methoxy-4-nitrobenzene

C8H8BrNO3246.06 g/molCAS 3913-23-3

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IDENTITY

结构与身份

标准SMILES: COc1ccc([N+](=O)[O-])cc1CBr
InChIKey: JRHMPHMGOGMNDU-UHFFFAOYSA-N
分子式: C8H8BrNO3
平均分子量: 246.06 g/mol
单同位素质量: 244.96876

COMPUTED

结构计算性质

已同步

XLogP: 2.3
极性表面积: 55.1 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 2
重原子: 13
形式电荷: 0
复杂度: 183

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 40 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

Regulatory Information

Benzene, 2-(bromomethyl)-1-methoxy-4-nitro-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories

Skin Corr. 1B (100%)

REGULATORY

法规信息

来源：PubChem

Regulatory Information

Benzene, 2-(bromomethyl)-1-methoxy-4-nitro-: Does not have an individual approval but may be used under an appropriate group standard

ALIASES

名称与别名

共 40 条

2-(Bromomethyl)-1-methoxy-4-nitrobenzene3913-23-32-Methoxy-5-nitrobenzyl bromideDTXSID60192379RefChem:87860DTXCID20114870223-471-62-Bromomethyl-4-nitroanisoleKoshland's reagent IIKoshland Reagent No. 22-(Bromomethyl)-4-nitroanisoleBenzene, 2-(bromomethyl)-1-methoxy-4-nitro-Anisole, 2-(bromomethyl)-4-nitro-MFCD000073292-Methoxy-5-nitrobenzylbromideEINECS 223-471-6BRN 1878596Koshland reagent 2Toluene, alpha-bromo-2-methoxy-6-nitro-Koshland reagent number 2

REACTIONS

参与反应

21 条

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06699879B1

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

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

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

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uspto-grants-1997_07 · 10.6084/m9.figshare.5104873.v1 · US05652361

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

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uspto-grants-2013_02 · 10.6084/m9.figshare.5104873.v1 · US08383821B2

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uspto-grants-2009_05 · 10.6084/m9.figshare.5104873.v1 · US07531553B2

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