反应SMILES:Clc1cccc(Cl)c1COCCOCCCCCCBr
HCID66844903

2-((2-((6-Bromohexyl)oxy)ethoxy)methyl)-1,3-dichlorobenzene

2-[2-(6-bromohexoxy)ethoxymethyl]-1,3-dichlorobenzene

C15H21BrCl2O2384.1 g/molCAS 503070-57-3

IDENTITY

结构与身份

标准SMILES
Clc1cccc(Cl)c1COCCOCCCCCCBr
InChIKey
AKLUHFHHUBIDQA-UHFFFAOYSA-N
分子式
C15H21BrCl2O2
平均分子量
384.1 g/mol
单同位素质量
382.0102

COMPUTED

结构计算性质

已同步
XLogP
4.9
极性表面积
18.5 Ų
氢键供体
0
氢键受体
2
可旋转键
11
重原子
20
形式电荷
0
复杂度
222

GHS

GHS分类

来源:PubChem
GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 4 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. 4 (100%);Skin Irrit. 2 (75%);Eye Irrit. 2 (75%);STOT SE 3 (75%)

ALIASES

名称与别名

共 27 条
503070-57-32-((2-((6-bromohexyl)oxy)ethoxy)methyl)-1,3-dichlorobenzene2-[[2-[(6-Bromohexyl)oxy]ethoxy]methyl]-1,3-dichlorobenzene2-({2-[(6-Bromohexyl)oxy]ethoxy}methyl)-1,3-dichlorobenzeneRefChem:447586811-292-12-[2-(6-Bromohexyloxy)ethoxymethyl]-1,3-dichlorobenzeneBenzene, 2-[[2-[(6-broMohexyl)oxy]ethoxy]Methyl]-1,3-dichloro2-[2-(6-bromohexoxy)ethoxymethyl]-1,3-dichlorobenzeneMFCD213373622-(2-(6-bromohexyloxy)ethoxymethyl)-1,3-dichlorobenzeneC15H21BrCl2O24UXW94FP9HSCHEMBL924842Benzene, 2-[[2-[(6-bromohexyl)oxy]ethoxy]methyl]-1,3-dichloro-CS-M2591DVA07057AKOS027250612AC-30864DS-12378

REACTIONS

参与反应

8
HRID219051

uspto-grants-2012_06

作为反应物
HRID 219051 方程式

uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08198483B2

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HRID494165

uspto-grants-2009_05

作为反应物
HRID 494165 方程式

uspto-grants-2009_05 · 10.6084/m9.figshare.5104873.v1 · US07538127B2

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HRID503092

uspto-grants-2010_08

作为反应物
HRID 503092 方程式

uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07776895B2

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HRID808474

Test data from https://doi.org/10.1039/C8SC04228D

作为反应物
HRID 808474 方程式

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

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HRID901629

uspto-grants-2008_04

作为反应物
HRID 901629 方程式

uspto-grants-2008_04 · 10.6084/m9.figshare.5104873.v1 · US07361787B2

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HRID1014852

uspto-grants-2011_07

作为反应物
HRID 1014852 方程式

uspto-grants-2011_07 · 10.6084/m9.figshare.5104873.v1 · US07982067B2

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HRID2116989

uspto-grants-2008_10

作为反应物
HRID 2116989 方程式

uspto-grants-2008_10 · 10.6084/m9.figshare.5104873.v1 · US07439393B2

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HRID2369713

uspto-grants-2014_04

作为反应物
HRID 2369713 方程式

uspto-grants-2014_04 · 10.6084/m9.figshare.5104873.v1 · USRE044874E1

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