HCID178469538

Ethyl 4-hydroxy-6-(trifluoromethyl)quinoline-3-carboxylate

ethyl 4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylate

C13H10F3NO3285.22 g/mol

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: CCOC(=O)c1cnc2ccc(C(F)(F)F)cc2c1O
InChIKey: SPGPSFWOMJQSDF-UHFFFAOYSA-N
分子式: C13H10F3NO3
平均分子量: 285.22 g/mol
单同位素质量: 285.06127767

COMPUTED

结构计算性质

已同步

XLogP: 2.9
极性表面积: 55.4 Å²
氢键供体: 1
氢键受体: 7
可旋转键: 3
重原子: 20
形式电荷: 0
复杂度: 445

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. 2 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 39 条

Ethyl 4-hydroxy-6-(trifluoromethyl)quinoline-3-carboxylateRefChem:595438817-060-626893-12-9MFCD0017336971083-01-7ethyl 4-oxo-6-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylateethyl 4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylateEthyl 4-hydroxy-6-(trifluoromethyl)-3-quinolinecarboxylateF3173-0045Maybridge1_0032973-Quinolinecarboxylic acid, 4-hydroxy-6-(trifluoromethyl)-, ethyl esterBionet2_000129SCHEMBL651326CHEMBL207752SCHEMBL28289134HMS550N19DTXSID80371907Ethyl 6-(trifluoromethyl)-4-hydroxyquinoline-3-carboxylateHMS1364F19

REACTIONS