HCID13238550

4-Formyl-3-nitrobenzonitrile

C8H4N2O3176.13 g/molCAS 90178-78-2

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IDENTITY

结构与身份

标准SMILES: N#Cc1ccc(C=O)c([N+](=O)[O-])c1
InChIKey: KNKVNTDAQHBEAW-UHFFFAOYSA-N
分子式: C8H4N2O3
平均分子量: 176.13 g/mol
单同位素质量: 176.02219199

COMPUTED

结构计算性质

已同步

XLogP: 1
极性表面积: 86.7 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 1
重原子: 13
形式电荷: 0
复杂度: 262

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]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 20 条

4-formyl-3-nitrobenzonitrile90178-78-2DTXSID70531098RefChem:292961DTXCID70481887MFCD106968694-formyl-3-nitro-benzonitrileBENZONITRILE, 4-FORMYL-3-NITRO-4-cyano-2-nitrobenzaldehydeSCHEMBL125038SCHEMBL29805549KNKVNTDAQHBEAW-UHFFFAOYSA-NAKOS006303390AB58394AS-59366SY111720DB-118009CS-0045081F30248F228999

REACTIONS