HCID10358676

4-(4-Hydroxy-3-iodophenyl)benzonitrile

C13H8INO321.11 g/molCAS 460746-47-8

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IDENTITY

结构与身份

标准SMILES: N#Cc1ccc(-c2ccc(O)c(I)c2)cc1
InChIKey: GGJLASJZXUIMAG-UHFFFAOYSA-N
分子式: C13H8INO
平均分子量: 321.11 g/mol
单同位素质量: 320.96506

COMPUTED

结构计算性质

已同步

XLogP: 3.6
极性表面积: 44 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 1
重原子: 16
形式电荷: 0
复杂度: 277

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Acute Tox. 4 (100%)；Acute Tox. 4 (100%)；Acute Tox. 4 (100%)

ALIASES

名称与别名

共 28 条

4-(4-hydroxy-3-iodophenyl)benzonitrile4'-hydroxy-3'-iodo[1,1'-biphenyl]-4-carbonitrile4'-Hydroxy-3'-iodo(1,1'-biphenyl)-4-carbonitrileRefChem:514255696-505-4460746-47-84'-Hydroxy-3'-iodo-biphenyl-4-carbonitrile4'-Hydroxy-3'-iodo-[1,1'-biphenyl]-4-carbonitrileMFCD06796628C13H8INO4'-Hydroxy-3'-iodobiphenyl-4-carbonitrileGKG9HJB8MUSCHEMBL2785702DTXSID90438712GGJLASJZXUIMAG-UHFFFAOYSA-NAKOS015962778AC-9294SS-4452SY2388584'-Hydroxy-3'-iodo-4-biphenylcarbonitrile

REACTIONS

参与反应

10 条

uspto-grants-2009_05 · 10.6084/m9.figshare.5104873.v1 · US07538138B2

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uspto-grants-2009_05 · 10.6084/m9.figshare.5104873.v1 · US07538138B2

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uspto-grants-2009_05 · 10.6084/m9.figshare.5104873.v1 · US07538138B2

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uspto-grants-2005_11 · 10.6084/m9.figshare.5104873.v1 · US06969730B2

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uspto-grants-2005_11 · 10.6084/m9.figshare.5104873.v1 · US06969730B2

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uspto-grants-2005_11 · 10.6084/m9.figshare.5104873.v1 · US06969730B2

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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uspto-grants-2003_09 · 10.6084/m9.figshare.5104873.v1 · US06620839B2

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