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

개요

6-Chlorooxindole is a member of indoles.

이름 및 식별자

우선 이름: 6-Chloro-1,3-dihydroindol-2-one
IUPAC: 6-chloro-1,3-dihydroindol-2-one
현지명: 6-클로루신돌
영어명: 6-Chlorooxindole
분자식: C8H6ClNO
분자량: 167.59

이름 및 동의어

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

이름 더 보기

6-클로루신돌6-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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 29.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 183

물리화학적 성질

녹는점: 195 · 195-199 °C (lit.)
끓는 점: 329 · 329.0±42.0 °C(Predicted)
밀도: 1.362 · 1.362±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: soluble in Dimethylformamide
물리적 상태: powder to crystal
산도 계수 (pKa): 13.39 · 13.39±0.20(Predicted)
색상: 밝은 노란색에서 갈색까지
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

화학적 성질

Off-white to tan crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 6건

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]

유해성 정보

Regulatory InformationStatus: No longer Valid Update: 23-04-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/10990

Hazard Classes and Categories · 2건

Acute Tox. 4 (100%)

안전 데이터

wgk: 3
HS 번호: 29337900
risk_code: 22-43-36/37/38
hazard_code: Xn,Xi
safety_code: 37/39-36-26
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 OralSkin Sens. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

개요6-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.