5-フルオロオキシインドール

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

HCID 3731012CAS 56341-41-4

基本情報

標準SMILES
O=C1Cc2cc(F)ccc2N1
InChIKey
DDIIYGHHUMKDGI-UHFFFAOYSA-N
分子式
C8H6FNO
平均分子量
151.14 g/mol
単同位体質量
151.04334198

名称と識別子

優先名称
5-fluoro-1,3-dihydro-2H-indol-2-one
IUPAC
5-fluoro-1,3-dihydroindol-2-one
現地名
5-フルオロオキシインドール
英語名
5-Fluoro-2-oxindole
分子式
C8H6FNO
分子量
151.14

名称と別名

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
名称をさらに表示
5-フルオロオキシインドール5-フルオロ-2-インドリノン5-フルオロ-2-オキシインドール5-フルオロオキシンドール5-フルオロ-2,3-ジヒドロ-1H-インドール-2-オン5-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)

データベース識別子

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

物性

構造計算による物性

XLogP
1.3
極性表面積
29.1 Ų
水素結合供与体数
1
水素結合受容体数
2
回転可能結合数
0
重原子数
11

物理化学的性質

融点
143 · 143-147 °C (lit.)
沸点
307.2 · 307.2±42.0 °C(Predicted)
比重(密度)
1.311 · 1.311±0.06 g/cm3(Predicted)
貯蔵温度
Sealed in dry,Room Temperature
溶解性
クロロホルム(微量)、メタノール(微量)
酸解離定数(Pka)
12.99 · 12.99±0.20(Predicted)

化学的性質

化学的特性Light Yellow Crystalline

安全と法規制

GHS分類

GHS Classification · 6 件

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.

危険有害性情報

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

安全データ

wgk
3
hs_code
29339900
risk_code
36/37/38-34
hazard_code
Xi,C
hazard_note
Irritant/Keep Cold
safety_code
22-24/25-45-36/37/39-27-26

化学と産業

応用分野

使用5-Fluoro-2-oxindole (cas# 56341-41-4) is a compound useful in organic synthesis.

調製方法 · 1 件

製造方法synthesis of 5-fluoro-2-oxindole: 4-fluoroaniline was used as the starting material, reacted with chloral hydrate and hydroxylamine hydrochloride to generate 4-fluoroisonitrosoacetanilide, and then cyclized under the action of concentrated sulfuric acid to form the compound 5-fluoroisatin was finally obtained by wolff-kishner-huang minlon reduction to obtain 5-fluoro-2-oxindole with a total yield of 66%.

サプライヤー50 社

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]

関連反応

347 件

関連ノート

読み込み中…