HCID29923271

Methyl 4,6-dichloroquinoline-2-carboxylate

C11H7Cl2NO2256.08 g/molCAS 848501-96-2

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1cc(Cl)c2cc(Cl)ccc2n1
InChIKey: AHTTVCBWDAOWBI-UHFFFAOYSA-N
分子式: C11H7Cl2NO2
平均分子量: 256.08 g/mol
单同位素质量: 254.9853839

COMPUTED

结构计算性质

已同步

XLogP: 3.6
极性表面积: 39.2 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 2
重原子: 16
形式电荷: 0
复杂度: 275

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)

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

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

ALIASES

名称与别名

共 19 条

METHYL 4,6-DICHLOROQUINOLINE-2-CARBOXYLATE848501-96-2DTXSID10652216RefChem:815700DTXCID40602966889-622-9MFCD08458388SCHEMBL3284191SCHEMBL30629557AHTTVCBWDAOWBI-UHFFFAOYSA-NYIB50196AKOS012682482SB68673BS-24196CS-0099697EN300-129452H58777methyl 4,6-bis(chloranyl)quinoline-2-carboxylateZ1134173744

REACTIONS

参与反应

2 条

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

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uspto-grants-2010_05 · 10.6084/m9.figshare.5104873.v1 · US07709503B2

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