HCID23438036

6-Bromo-4-oxo-1,4-dihydroquinoline-3-carbonitrile

6-bromo-4-oxo-1H-quinoline-3-carbonitrile

C10H5BrN2O249.06 g/molCAS 364793-52-2

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IDENTITY

结构与身份

标准SMILES: N#Cc1c[nH]c2ccc(Br)cc2c1=O
InChIKey: HEKLYXFAPJNHEX-UHFFFAOYSA-N
分子式: C10H5BrN2O
平均分子量: 249.06 g/mol
单同位素质量: 247.95853

COMPUTED

结构计算性质

已同步

XLogP: 2.2
极性表面积: 52.9 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 0
重原子: 14
形式电荷: 0
复杂度: 341

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

364793-52-26-bromo-4-oxo-1,4-dihydroquinoline-3-carbonitrileDTXSID50634132RefChem:307572DTXCID90584884962-659-96-BROMO-4-HYDROXYQUINOLINE-3-CARBONITRILE958649-15-56-BROMO-4-OXO-1H-QUINOLINE-3-CARBONITRILEMFCD097439533-QUINOLINECARBONITRILE, 6-BROMO-4-HYDROXY-3-Quinolinecarbonitrile, 6-bromo-1,4-dihydro-4-oxo-SCHEMBL5254495SCHEMBL13976998SCHEMBL29775134PPA79352AKOS000171263AKOS005142546SB68926SB71541

REACTIONS

参与反应

1 条

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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