HCID178516406

6-(Trifluoromethyl)-4-quinolinol

6-(trifluoromethyl)-1H-quinolin-4-one

C10H6F3NO213.16 g/mol

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IDENTITY

结构与身份

标准 SMILES: Oc1ccnc2ccc(C(F)(F)F)cc12
InChIKey: CEIVPELVRVTMJW-UHFFFAOYSA-N
分子式: C10H6F3NO
平均分子量: 213.16 g/mol
单同位素质量: 213.0401483

COMPUTED

结构计算性质

已同步

XLogP: 1.5
极性表面积: 29.1 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 0
重原子: 15
形式电荷: 0
复杂度: 298

GHS

GHS 分类

来源：PubChem

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 5 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

来源：PubChem

Hazard Classes and Categories

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

ALIASES

名称与别名

共 27 条

6-(Trifluoromethyl)-4-quinolinolRefChem:5399806-(trifluoromethyl)quinolin-4-ol49713-51-14-Hydroxy-6-(trifluoromethyl)quinoline6-(Trifluoromethyl)quinolin-4(1H)-one949507-45-36-(trifluoromethyl)-1H-quinolin-4-oneMFCD002096734-Hydroxy-6-trifluoromethylquinoline4-Quinolinol, 6-(trifluoromethyl)-6-Trifluoromethyl-quinolin-4-olSCHEMBL4421437DTXSID60379406SBB094756AKOS002337477AC-3049FS-1145SB68891SY003662

REACTIONS

参与反应

2 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID302489

Training data from https://doi.org/10.1039/C8SC04228D (8/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID2108852

uspto-grants-2009_04

作为反应物

uspto-grants-2009_04 · 10.6084/m9.figshare.5104873.v1 · US07514432B2

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