5-氟吲哚-2-酮

5-fluoro-1,3-dihydro-2H-indol-2-one

HCID 3731012CAS 56341-41-4

基本信息

标准SMILES
O=C1Cc2cc(F)ccc2N1
InChIKey
DDIIYGHHUMKDGI-UHFFFAOYSA-N
分子式
C8H6FNO
平均分子量
151.14 g/mol
单同位素质量
151.04334198

名称与标识

首选名称
5-fluoro-1,3-dihydro-2H-indol-2-one
IUPAC
5-fluoro-1,3-dihydroindol-2-one
中文名
5-氟吲哚-2-酮
英文名
5-Fluoro-2-oxindole
分子式
C8H6FNO
分子量
151.14

名称与别名

5-fluoro-1,3-dihydroindol-2-one5-fluoro-1,3-dihydro-2H-indol-2-oneRefChem:535646638-803-95-Fluorooxindole56341-41-45-Fluoro-2-oxindole5-fluoroindolin-2-one5-fluoro-2,3-dihydro-1H-indol-2-one2H-Indol-2-one, 5-fluoro-1,3-dihydro-5-Fluoro-2-oxoindolineMFCD02179598
展开更多名称
5-氟羟吲哚5-氟吲哚酮5-氟氧吲哚5-氟二氢吲哚5-氟吲哚二酮5-氟氧化吲哚苏尼替尼杂质F5-氟吲哚-2-舒尼替尼杂质16舒尼替尼杂质355-FLUORO-2-OXYINDOLEuorooxindoL5-FLUROOXINDOLE5-Fluoroindolinone5-Fluorooxindole98%
4EW64J5JHCCHEMBL61480025-Fluoranyl-1,3-dihydroindol-2-oneFLUOROOXINDOLEOxindole derivative5-Fluoro-2-indolinone5-Fluoro-1,3-dihydro-indol-2-one5-Fluorooxindole (5-Fluoro-1,3-dihydro-2H-indol-2-one)

数据库标识

CAS
56341-41-4
PubChem CID
3731012
DTXSID
DTXSID40395649
ChEMBL
CHEMBL6148002
UNII
4EW64J5JHC
EC Number
638-803-9
Nikkaji
J416.476H

性质

结构计算性质

XLogP
1.3
极性表面积
29.1 Ų
氢键供体
1
氢键受体
2
可旋转键
0
重原子
11

物理化学性质

熔点
143 · 143-147 °C (lit.)
沸点
307.2 · 307.2±42.0 °C(Predicted)
密度
1.311 · 1.311±0.06 g/cm3(Predicted)
储存条件
Sealed in dry,Room Temperature
溶解度
Chloroform (Slightly), Methanol (Slightly)
形态
Powder or Crystalline Powder

化学性质

5-氟吲哚-2-酮常温常压下为白色至淡黄色固体粉末,具有一定的刺激性气味,不溶于水但是可溶于常见的有机溶剂。其结构中含有一个氟原子和酰胺单元,具有较好的化学稳定性,一般情况下不会发生分解。

安全与法规

GHS分类

GHS Classification · 6 条

This chemical does not meet GHS hazard criteria for 2.7% (1 of 37) of reports.

Danger

H301 (78.4%): Toxic if swallowed [Danger Acute toxicity, oral];H315 (18.9%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (18.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (18.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 37 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 37 reports by companies.;There are 3 notifications provided by 36 of 37 reports by companies with hazard statement code(s).;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.

危害信息

Hazard Classes and CategoriesAcute Tox. 3 (78.4%);Skin Irrit. 2 (18.9%);Eye Irrit. 2A (18.9%);STOT SE 3 (18.9%)

安全数据

wgk
3
hazard_note
Irritant/Keep Cold
危险等级
IRRITANT, KEEP COLD
存储类别
13 - Non Combustible Solids
安全说明
22-24/25-45-36/37/39-27-26
海关编码
29339900

化学与工业

应用领域

用途5-氟吲哚-2-酮可用作有机合成及医药化学中间体,多用于药物分子和具有生物活性的有机功能分子的合成。

应用5-氟吲哚-2-酮为酮类有机物,可用作制备舒尼替尼的中间体。

试剂价格

H32176 · 1g
5-氟吲哚-2-酮, 97%5-Fluorooxindole, 97% — 701元
F0699 · 1G
5-氟吲哚酮5-Fluorooxindole — 20元

供应商50 家

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海宇之诚医药科技有限公司13361818591 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

相关反应

347 条

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