5-(2-Chloroethyl)-6-chlorooxindole

HCID 10609474CAS 118289-55-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C1Cc2cc(CCCl)c(Cl)cc2N1
InChIKey: ZTQQXEPZEYIVDK-UHFFFAOYSA-N
분자식: C10H9Cl2NO
평균 분자량: 230.09 g/mol
단동위원소 질량: 229.00611927

개요

See also: monohydrochloride, (3S-(2(R*(R*)),3R*))- (annotation moved to).

이름 및 식별자

우선 이름: 5-(2-Chloroethyl)-6-chlorooxindole
IUPAC: 6-chloro-5-(2-chloroethyl)-1,3-dihydroindol-2-one
영어명: 6-Chloro-5-(2-chloroethyl)oxindole
분자식: C10H9Cl2NO
분자량: 230.09

이름 및 동의어

6-Chloro-5-(2-chloroethyl)indolin-2-one6-Chloro-5-(2-chloroethyl)oxindole6-chloro-5-(2-chloroethyl)-1,3-dihydro-2h-indol-2-one6-chloro-5-(2-chloroethyl)-1,3-dihydroindol-2-one5-(2-Chloroethyl)-6-chlorooxindole2H-INDOL-2-ONE, 6-CHLORO-5-(2-CHLOROETHYL)-1,3-DIHYDRO-ZT4R5S724XDTXSID50442471EC 421-320-06-CHLORO-5-(2-CHLOROETHYL)-2-OXOINDOLINE5-(2-chloroethyl)-6-chloro-1,3-dihydro-2h-indol-2-oneRefChem:529361

이름 더 보기

Ziprasidone impurity FZiprasidone Impurity AZiprasidone Impurity 13Diethyl phosphate-d 10 -16-Chloro-5-(2-Chloroethyl)-1,35-Chloroethyl-6-Cloro-2-oxindoleChloroethylchlorodihydroindoleone5-CHLOROETHYL-6-CHLORO-2-OXINDOLE

DTXCID50393292421-320-0118289-55-75-Chloroethyl-6-chloro-1,3-dihydro-2H-indole-2-oneMFCD034115985-Chloroethyl-6-chloro-1,3-dihydro-1H-indol-2-one6-Chloro-5-(2-chloroethyl)-2-indolinone5-(2-chloroethyl)-6-chloro oxindole

데이터베이스 식별자

CAS: 118289-55-7
PubChem CID: 10609474
DTXSID: DTXSID50442471
UNII: ZT4R5S724X
EC Number: 421-320-0
Nikkaji: J1.871.419A

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 29.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 234

실험 및 물리화학적 성질

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점: 218 · 218-221℃
끓는 점: 393.8 · 393.8±42.0 °C(Predicted)
밀도: 1.376 · 1.376±0.06 g/cm3(Predicted)
증기압: 0 Pa · 0Pa at 25℃
저장 조건: 2 · Sealed in dry,2-8°C
용해도: soluble in Dimethylformamide
물리적 상태: 가루
산도 계수 (pKa): 13.23 · 13.23±0.20(Predicted)
색상: 흰색에서 노란색, 주황색으로
InChI: InChI=1S/C10H9Cl2NO/c11-2-1-6-3-7-4-10(14)13-9(7)5-8(6)12/h3,5H,1-2,4H2,(H,13,14)
InChIKey: ZTQQXEPZEYIVDK-UHFFFAOYSA-N
SMILES: N1C2=C(C=C(CCCl)C(Cl)=C2)CC1=O
LogP: 2.93 at · 2.93 at 20℃

화학적 성질

Pale Pink Solid

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Warning

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory InformationStatus: Active Update: 26-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/9773

Hazard Classes and Categories · 3건

Aquatic Acute 1 (100%)

Hazardous to the aquatic environment (acute) - category 1

Aquatic Acute 1

안전 데이터

ridadr: 3077
HS 번호: 29339900
risk_code: 50/53
hazard_code: N
safety_code: 60-61-24/25
포장분류: III
위험 등급: 9

화학 및 산업

응용 분야

용도6-Chloro-5-(2-chloroethyl)oxindole (cas# 118289-55-7) is a compound useful in organic synthesis.

공급사50 곳

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