HCID54594335

3,5-Difluoro-2-nitrobenzonitrile

C7H2F2N2O2184.1 g/molCAS 868596-13-8

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IDENTITY

结构与身份

标准SMILES: N#Cc1cc(F)cc(F)c1[N+](=O)[O-]
InChIKey: GCJYPUIYHNBJPH-UHFFFAOYSA-N
分子式: C7H2F2N2O2
平均分子量: 184.1 g/mol
单同位素质量: 184.00843363

COMPUTED

结构计算性质

已同步

XLogP: 1.7
极性表面积: 69.6 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 0
重原子: 13
形式电荷: 0
复杂度: 257

GHS

GHS分类

GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P270, P280, P301+P317, P302+P352, P321, P330, P332+P317, 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

Hazard Classes and Categories

Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)

ALIASES

名称与别名

共 18 条

3,5-Difluoro-2-nitrobenzonitrile868596-13-8DTXSID70712406RefChem:271752DTXCID80663152824-249-7MFCD13185568Benzonitrile, 3,5-difluoro-2-nitro-SCHEMBL56482GCJYPUIYHNBJPH-UHFFFAOYSA-NTJB59613AKOS022172395SY186883DB-293895CS-0377288EN300-80689E86307Z1224390200

REACTIONS

相关反应

4 条

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

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uspto-grants-2012_03 · 10.6084/m9.figshare.5104873.v1 · US08129403B2

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uspto-grants-2012_03 · 10.6084/m9.figshare.5104873.v1 · US08129403B2

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

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