HCID3916227

2-(4-Methoxybenzyloxycarbonyloxyimino)-2-phenylacetonitrile

[[cyano(phenyl)methylidene]amino] (4-methoxyphenyl)methyl carbonate

C17H14N2O4310.3 g/molCAS 59577-32-1

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IDENTITY

结构与身份

标准SMILES: COc1ccc(COC(=O)ON=C(C#N)c2ccccc2)cc1
InChIKey: IPRBOQUKBZNCAG-UHFFFAOYSA-N
分子式: C17H14N2O4
平均分子量: 310.3 g/mol
单同位素质量: 310.09535693

COMPUTED

结构计算性质

已同步

XLogP: 3.8
极性表面积: 80.9 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 7
重原子: 23
形式电荷: 0
复杂度: 454

GHS

GHS分类

GHS Classification

Warning

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

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

Aggregated GHS information provided per 39 reports by companies from 2 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

Hazard Classes and Categories

Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 13 条

2-(4-Methoxybenzyloxycarbonyloxyimino)-2-phenylacetonitrile59577-32-1DTXSID70397939RefChem:252468DTXCID60348798623-505-3[[cyano(phenyl)methylidene]amino] (4-methoxyphenyl)methyl carbonateSCHEMBL6754662(Z)-[CYANO(PHENYL)METHYLIDENE]AMINO (4-METHOXYPHENYL)METHYL CARBONATEIPRBOQUKBZNCAG-UHFFFAOYSA-NDB-0534172-(4-methoxybenzyl)oxycarbonyloxyimino-2-phenylacetonitrile[({[(4-Methoxyphenyl)methoxy]carbonyl}oxy)imino](phenyl)acetonitrile

REACTIONS

相关反应

15 条

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-1977_03 · 10.6084/m9.figshare.5104873.v1 · US04010178

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uspto-grants-1977_03 · 10.6084/m9.figshare.5104873.v1 · US04014915

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uspto-grants-1977_03 · 10.6084/m9.figshare.5104873.v1 · US04014915

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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uspto-grants-1996_12 · 10.6084/m9.figshare.5104873.v1 · US05580878

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uspto-grants-1996_12 · 10.6084/m9.figshare.5104873.v1 · US05580878

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