反应SMILES:Fc1ccc2ncccc2c1
HCID196975

Quinoline, 6-fluoro-

6-fluoroquinoline

C9H6FN147.15 g/molCAS 396-30-5

IDENTITY

结构与身份

标准SMILES
Fc1ccc2ncccc2c1
InChIKey
RMDCSDVIVXJELQ-UHFFFAOYSA-N
分子式
C9H6FN
平均分子量
147.15 g/mol
单同位素质量
147.04842736

COMPUTED

结构计算性质

已同步
XLogP
2.2
极性表面积
12.9 Ų
氢键供体
0
氢键受体
2
可旋转键
0
重原子
11
形式电荷
0
复杂度
138

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H302 (95.2%): Harmful if swallowed [Warning Acute toxicity, oral];H318 (95.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 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

Acute Tox. 4 (95.2%);Eye Dam. 1 (95.2%)

ALIASES

名称与别名

共 33 条
6-Fluoroquinoline396-30-5Quinoline, 6-fluoro-CCRIS 2892BRN 0112962DTXSID80192710RefChem:872015DTXCID20115201685-586-1MFCD016855126-fluoro-quinoline6-Fluoro quinoline6-Fluoroquinoline, 97%SCHEMBL206393SCHEMBL208132SCHEMBL856993SCHEMBL2170490SCHEMBL5798163CHEMBL1162364SCHEMBL16049733

REACTIONS

参与反应

9
HRID514824

uspto-grants-2015_08

作为反应物
HRID 514824 方程式

uspto-grants-2015_08 · 10.6084/m9.figshare.5104873.v1 · US09108921B2

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HRID860021

uspto-grants-2006_12

作为反应物
HRID 860021 方程式

uspto-grants-2006_12 · 10.6084/m9.figshare.5104873.v1 · US07153849B2

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HRID1134093

Training data from https://doi.org/10.1039/C8SC04228D (7/10)

作为反应物
HRID 1134093 方程式

Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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HRID1520140

uspto-grants-2015_07

作为反应物
HRID 1520140 方程式

uspto-grants-2015_07 · 10.6084/m9.figshare.5104873.v1 · US09073902B2

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HRID1706442

uspto-grants-1980_06

作为反应物
HRID 1706442 方程式

uspto-grants-1980_06 · 10.6084/m9.figshare.5104873.v1 · US04207320

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HRID1706444

uspto-grants-1980_06

作为反应物
HRID 1706444 方程式

uspto-grants-1980_06 · 10.6084/m9.figshare.5104873.v1 · US04207320

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HRID1706448

uspto-grants-1980_06

作为反应物
HRID 1706448 方程式

uspto-grants-1980_06 · 10.6084/m9.figshare.5104873.v1 · US04207320

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HRID2202360

uspto-grants-2016_06

作为反应物
HRID 2202360 方程式

uspto-grants-2016_06 · 10.6084/m9.figshare.5104873.v1 · US09365545B2

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