1-(클로로메틸)-4,5-디히드로-1H-이미다졸염산염

5-(Methanesulfonyl)-2,3-dihydro-1H-indole

HCID 2736136CAS 387350-92-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CS(=O)(=O)c1ccc2c(c1)CCN2
InChIKey: OFYOHQMIBTVTKY-UHFFFAOYSA-N
분자식: C9H11NO2S
평균 분자량: 197.26 g/mol
단동위원소 질량: 197.05104977

이름 및 식별자

우선 이름: 5-(Methanesulfonyl)-2,3-dihydro-1H-indole
IUPAC: 5-methylsulfonyl-2,3-dihydro-1H-indole
현지명: 1-(클로로메틸)-4,5-디히드로-1H-이미다졸염산염
영어명: 1-(Cloromethyl)-4,5-dihydro-1H-imidazole hydrochloride
분자식: C9H11NO2S
분자량: 197.25

이름 및 동의어

387350-92-7DTXSID103711525-(Methanesulfonyl)-2,3-dihydro-1H-indoleRefChem:300534DTXCID303221865-(methylsulfonyl)indoline5-methanesulfonyl-2,3-dihydro-1H-indole5-(Methylsulfonyl)-indoline5-methylsulfonyl-2,3-dihydro-1H-indole1-(Cloromethyl)-4,5-dihydro-1H-imidazole hydrochlorideMFCD013192032,3-dihydro-5-(methylsulphonyl)-(1h)-indole

이름 더 보기

1-(클로로메틸)-4,5-디히드로-1H-이미다졸염산염5-(Methylsulphonyl)indoline 95+%1-(CHLOROMETHYL)-4,5-DIHYDRO-1H-IMIDAZOLE HYDROCHLORIDE2,3-Dihydro-5-(methylsulphonyl)-1H-indole, 2,3-Dihydro-1H-indol-5-yl methyl sulphone

5-methanesulfonyl-indoline1H-Indole, 2,3-dihydro-5-(methylsulfonyl)-5-methylsulfonylindoline5-methanesulfonylindolinePeakdale1_0009735-(Methylsulphonyl)indoline5-(methyl-sulfonyl)indolineSCHEMBL514685

데이터베이스 식별자

CAS: 387350-92-7
PubChem CID: 2736136
DTXSID: DTXSID10371152
EC Number: 674-426-6

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 54.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 280

물리화학적 성질

녹는점: 129 · 129-131°C
끓는 점: 418.8 · 418.8±45.0 °C(Predicted)
밀도: 1.261 · 1.261±0.06 g/cm3(Predicted)
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
물리적 상태: 고체
산도 계수 (pKa): 1.33 · 1.33±0.20(Predicted)
색상: 하얀색

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.