6-Chloro-1,3-dihydroindol-2-one (HCID 736344)

概要

6-Chlorooxindole is a member of indoles.

名称と識別子

優先名称: 6-Chloro-1,3-dihydroindol-2-one
IUPAC: 6-chloro-1,3-dihydroindol-2-one
現地名: 6-クロロオキシインドール
英語名: 6-Chlorooxindole
分子式: C8H6ClNO
分子量: 167.59

名称と別名

6-Chlorooxindole56341-37-86-Chloro-2-oxindole6-chloro-1,3-dihydroindol-2-oneCENVPIZOTHULGJ-UHFFFAOYSA-DTXSID00353003RefChem:541369DTXCID70304067421-330-5611-380-8InChI=1/C8H6ClNO/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-2,4H,3H2,(H,10,11)6-chloroindolin-2-one

名称をさらに表示

6-クロロオキシインドール6-クロロ-2-インドリノン6‐クロロオキシインドール6-クロロ-1,3-ジヒドロ-2H-インドール-2-オン6-クロロ-2-オキシインドール6-クロロオキシンドール6-クロロインドリン-2-オン6-クロロ-2,3-ジヒドロ-1H-インドール-2-オン6-Chloro-2-oxoindoleAKOS 207-096-CHLORO0XINDOLEIsatin Impurity 186-Chlorooxindole 98%6-Chlorooxindole,98%

6-Chloro-1,3-dihydro-2H-indol-2-one6-chloroindole-2(3h)-one6-Chloro-2-indolinone6-chloro-2,3-dihydro-1H-indol-2-oneMFCD002099622H-Indol-2-one, 6-chloro-1,3-dihydro-6-chloro-oxindol6-chloro-1,3-dihydro-indol-2-one

データベース識別子

CAS: 56341-37-8
PubChem CID: 736344
DTXSID: DTXSID00353003
ChEMBL: CHEMBL1232568
ChEBI: CHEBI:194669
EC Number: 421-330-5、611-380-8
Nikkaji: J754.952K

物性

構造計算による物性

XLogP: 1.8
極性表面積: 29.1 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 183

物理化学的性質

融点: 195 · 195-199 °C (lit.)
沸点: 329 · 329.0±42.0 °C(Predicted)
比重(密度): 1.362 · 1.362±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: soluble in Dimethylformamide
外見: powder to crystal
酸解離定数(Pka): 13.39 · 13.39±0.20(Predicted)
色: Light yellow to Brown
InChI: InChI=1S/C8H6ClNO/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-2,4H,3H2,(H,10,11)
InChIKey: CENVPIZOTHULGJ-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC(Cl)=C2)CC1=O
CAS データベース: 56341 · 56341-37-8(CAS DataBase Reference)

化学的性質

化学的特性Off-white to tan crystalline powder

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 115 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

危険有害性情報

Regulatory InformationStatus: No longer Valid Update: 23-04-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/10990

Hazard Classes and Categories · 2 件

Acute Tox. 4 (100%)

安全データ

wgk: 3
hs_code: 29337900
risk_code: 22-43-36/37/38
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 37/39-36-26
Hazard Classifications: Acute Tox. 4 OralSkin Sens. 1
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 1 件

説明6-Chlorooxindole is an organic compound that has been used in the pharmaceutical industry as a hydrogen bond donor and a dihydrate salt. It is an aromatic heterocycle with two rings, one of which is an oxindole ring. 6-Chlorooxindole has been shown to be stable at low pH and high temperatures, with the exception of hydrochloric acid. It is also soluble in water and can be prepared in a variety of ways, including by reacting benzene with nitrous acid or by heating oxindole with sodium hydroxide. 6-Chlorooxindole can be found as a component in some pharmaceutical preparations such as carbamazepine and ziprasidone. It can also be found as a component of the drug chlorpromazine.