2-옥소인돌린-5-술포닐클로라이드97

2-oxo-2,3-dihydro-1H-indole-5-sulfonyl chloride

HCID 4962506

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 199328-31-9
표준 SMILES: O=C1Cc2cc(S(=O)(=O)Cl)ccc2N1
InChIKey: FYBNVKMJOOYPGI-UHFFFAOYSA-N
분자식: C8H6ClNO3S
평균 분자량: 231.66 g/mol
단동위원소 질량: 230.97569173

이름 및 식별자

우선 이름: 2-oxo-2,3-dihydro-1H-indole-5-sulfonyl chloride
IUPAC: 2-oxo-1,3-dihydroindole-5-sulfonyl chloride
현지명: 2-옥소인돌린-5-술포닐클로라이드97
영어명: 2-Oxoindoline-5-sulphonyl chloride 97
분자식: C8H6ClNO3S
분자량: 231.66

이름 및 동의어

2-Oxo-2,3-dihydro-1H-indole-5-sulfonyl chlorideRefChem:477701638-957-72-Oxoindoline-5-sulfonyl chloride199328-31-92-oxo-1,3-dihydroindole-5-sulfonyl ChlorideMFCD066559241H-Indole-5-sulfonyl chloride, 2,3-dihydro-2-oxo-2-oxoindoline-5-sulfonylchloride2-oxo-5-indolinesulfonyl chlorideC8H6ClNO3S5-chlorosulfonyl-2-oxindole

이름 더 보기

2-옥소인돌린-5-술포닐클로라이드975-Chlorosulfonyloxindole2-OXOINDOLINE-5-SULPIndolone-5-sulfonyl chloride5-CHLOROSULPHONYL-2-OXINDOLE5-chlorosulfonyl-2-indolinone2-Oxindole-5-sulphonyl chloride2-Oxindole-5-sulphonylchloride97%2-Oxindole-5-sulphonyl chloride 97%

2-Oxoindoline-5-sulphonyl chloride5-(chlorosulfonyl)indolin-2-one2,3-Dihydro-2-oxo-1H-indole-5-sulphonyl chloride2-Oxindole-5-sulfonyl chloride5-chlorosulphonyl5-chlorosulphonyloxindole5-chlorosulfonyl oxindole5-chlorosufonyl-2-oxindole

데이터베이스 식별자

CAS: 199328-31-9
PubChem CID: 4962506
DTXSID: DTXSID00407111
EC Number: 638-957-7

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 71.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 348

물리화학적 성질

녹는점: 160 · >160
끓는 점: 445.6 · 445.6±45.0 °C(Predicted)
밀도: 1.568 · 1.568±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 12.34 · 12.34±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (25%)

안전 데이터

HS 번호: 2933790090
hazard_code: C
위험 참고 사항: Corrosive

화학 및 산업

응용 분야 · 1건

용도2-Oxo-5-indolinesulfonyl Chloride is a reactant used in the preparation of bis-indole-substituted pyridines and piperazinediones derivatives with potential antitumor activity. Also used in the preparation of antitumor 3,5-substituted indolin-2-one derivatives.