1-아세틸-2,3-디하이드로-1H-인돌-5-술포닐염화물

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

HCID 14024596CAS 52206-05-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(=O)N1CCc2cc(S(=O)(=O)Cl)ccc21
InChIKey: QNFXLCHANYHGIF-UHFFFAOYSA-N
분자식: C10H10ClNO3S
평균 분자량: 259.71 g/mol
단동위원소 질량: 259.00699186

이름 및 식별자

우선 이름: 1-Acetyl-2,3-dihydro-1H-indole-5-sulfonyl chloride
IUPAC: 1-acetyl-2,3-dihydroindole-5-sulfonyl chloride
현지명: 1-아세틸-2,3-디하이드로-1H-인돌-5-술포닐염화물
영어명: 1-Acetyl-2,3-dihydro-1H-indole-5-sulfonyl chloride
분자식: C10H10ClNO3S
분자량: 259.71

이름 및 동의어

52206-05-01-acetyl-2,3-dihydro-1H-indole-5-sulfonyl chlorideDTXSID50554487RefChem:227291DTXCID30505270821-213-21-acetylindoline-5-sulfonyl chloride1-acetyl-5-indolinesulfonoyl chloride1-acetyl-2,3-dihydroindole-5-sulfonyl chlorideMFCD07368558n-acetylindoline-5-sulphonyl chloride1H-Indole-5-sulfonyl chloride, 1-acetyl-2,3-dihydro-

이름 더 보기

1-아세틸-2,3-디하이드로-1H-인돌-5-술포닐염화물N-Acetylindoline-5-sulfonyl chloride1-Acetylindoline-5-sulphonylchloride97%1-Acetylindoline-5-sulfonylchloride,97%yl-2,3-dihydroindole-5-sulfonyl chloride

1-acetylindoline-5-sulphonyl chloride1-acetyl-5-(chlorosulfonyl)indoline1-acetyl-5-indolinesulfonyl chlorideSCHEMBL1021359SCHEMBL29737158QNFXLCHANYHGIF-UHFFFAOYSA-NALBB-014662BUTTPARK 120\07-98

데이터베이스 식별자

CAS: 52206-05-0
PubChem CID: 14024596
DTXSID: DTXSID50554487
EC Number: 821-213-2
Nikkaji: J2.131.307F

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 62.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 16
형식 전하: 0
복잡도: 389

물리화학적 성질

녹는점: 172 °C · 172 °C
끓는 점: 499 · 499.0±45.0 °C(Predicted)
밀도: 1.463 · 1.463±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 가루
산도 계수 (pKa): -3.49 · -3.49±0.20(Predicted)
색상: 하얀색
InChI: InChI=1S/C10H10ClNO3S/c1-7(13)12-5-4-8-6-9(16(11,14)15)2-3-10(8)12/h2-3,6H,4-5H2,1H3
InChIKey: QNFXLCHANYHGIF-UHFFFAOYSA-N
SMILES: N1(C(C)=O)C2=C(C=C(S(Cl)(=O)=O)C=C2)CC1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.