3-브로모-1-(페닐설포닐)-1H-인돌

3-Bromo-(1-phenylsulfonyl)indole

HCID 2776215

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 99655-68-2
표준 SMILES: O=S(=O)(c1ccccc1)n1cc(Br)c2ccccc21
InChIKey: MXPFKHHDXIJNDX-UHFFFAOYSA-N
분자식: C14H10BrNO2S
평균 분자량: 336.21 g/mol
단동위원소 질량: 334.96156

이름 및 식별자

우선 이름: 3-Bromo-(1-phenylsulfonyl)indole
IUPAC: 1-(benzenesulfonyl)-3-bromoindole
현지명: 3-브로모-1-(페닐설포닐)-1H-인돌
영어명: 3-Bromo-1-(phenylsulfonyl)-1H-indole
분자식: C14H10BrNO2S
분자량: 336.2

이름 및 동의어

3-Bromo-(1-phenylsulfonyl)indoleRefChem:498102629-133-899655-68-23-BROMO-1-(PHENYLSULFONYL)-1H-INDOLE3-Bromo-1-(phenylsulfonyl)indole1-(benzenesulfonyl)-3-bromoindole1-Benzenesulfonyl-3-bromo-1H-indoleMFCD026819861-(benzenesulfonyl)-3-bromo-1H-indole1-Phenylsulfonyl-3-bromoindole3-Bromo-1-(phenylsulphonyl)-1H-indole

이름 더 보기

3-브로모-1-(페닐설포닐)-1H-인돌BUTTPARK 98\04-083-BROMO-1-(PHENYLSULPHONYL)INDOLE3-bromo-2-(phenylsulfonyl)-1H-indole

1-(Benzenesulfonyl)-3-bromo-indole1-(Benzenesulphonyl)-3-bromo-1H-indole1H-Indole, 3-bromo-1-(phenylsulfonyl)-2-(benzenesulfonyl)-3-bromo-1H-indole3-BROMO-1H-INDOL-1-YL PHENYL SULPHONESCHEMBL19963821-Benzenesulfonyl-3-bromoindole1-Phenylsulphonyl-3-bromoindole

데이터베이스 식별자

CAS: 99655-68-2
PubChem CID: 2776215
DTXSID: DTXSID10379895
EC Number: 629-133-8
Nikkaji: J1.423.741K

물성

구조 계산 물성

XLogP: 3.9
극성 표면적: 47.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 19
형식 전하: 0
복잡도: 414

물리화학적 성질

녹는점: 122 · 122-126 °C (lit.)
끓는 점: 498 · 498.0±37.0 °C(Predicted)
밀도: 1.55 · 1.55±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: 고체
InChI: 1S/C14H10BrNO2S/c15-13-10-16(14-9-5-4-8-12(13)14)19(17,18)11-6-2-1-3-7-11/h1-10H
InChIKey: MXPFKHHDXIJNDX-UHFFFAOYSA-N
SMILES: Brc1cn(c2ccccc12)S(=O)(=O)c3ccccc3

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (95.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.