HCID70127

4-(Chloromethyl)benzonitrile

C8H6ClN151.59 g/molCAS 874-86-2

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IDENTITY

结构与身份

标准SMILES: N#Cc1ccc(CCl)cc1
InChIKey: LOQLDQJTSMKBJU-UHFFFAOYSA-N
分子式: C8H6ClN
平均分子量: 151.59 g/mol
单同位素质量: 151.0188769

COMPUTED

结构计算性质

已同步

XLogP: 2
极性表面积: 23.8 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 1
重原子: 10
形式电荷: 0
复杂度: 139

GHS

GHS分类

来源：PubChem

GHS Classification

Danger

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 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 (97.7%)；Skin Corr. 1B (100%)

ALIASES

名称与别名

共 47 条

4-(Chloromethyl)benzonitrile874-86-24-Cyanobenzyl Chloridep-Cyanobenzyl chlorideNSC 6307CCRIS 5103EINECS 212-869-5NSC 44855DTXSID20236329RefChem:515662DTXCID70158820212-869-54-(Chloromethyl)tolunitrile4-Chloromethylbenzonitrile4-Chloromethyl-benzonitrileBenzonitrile, 4-(chloromethyl)-3-CyanobenzylchlorideMFCD000197614-(chloromethyl)benzenecarbonitrileNSC-6307

REACTIONS

参与反应

66 条

uspto-grants-1993_09 · 10.6084/m9.figshare.5104873.v1 · US05248823

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846684B2

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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 (2/10) · 10.1039/C8SC04228D

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

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uspto-grants-1996_06 · 10.6084/m9.figshare.5104873.v1 · US05527945

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uspto-grants-1993_07 · 10.6084/m9.figshare.5104873.v1 · US05225601

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