5-(2-Chloroethyl)-6-chlorooxindole
기본 정보
- CAS
118289-55-7- 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 Ų
- 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
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
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.
관련 반응
30건
화합물 노트
불러오는 중…