1-(페닐설포닐)-3-인돌카르복살디히드

1-(Phenylsulfonyl)-3-indolecarboxaldehyde

HCID 363334CAS 80360-20-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12
InChIKey: ZLARITBCJILRBL-UHFFFAOYSA-N
분자식: C15H11NO3S
평균 분자량: 285.3 g/mol
단동위원소 질량: 285.04596439

이름 및 식별자

우선 이름: 1-(Phenylsulfonyl)-3-indolecarboxaldehyde
IUPAC: 1-(benzenesulfonyl)indole-3-carbaldehyde
현지명: 1-(페닐설포닐)-3-인돌카르복살디히드
영어명: 1-(PHENYLSULFONYL)-1H-INDOLE-3-CARBALDEHYDE
분자식: C15H11NO3S
분자량: 285.32

이름 및 동의어

80360-20-91-(Phenylsulfonyl)-3-indolecarboxaldehydeRefChem:428285623-179-21-(phenylsulfonyl)-1h-indole-3-carbaldehyde1-(benzenesulfonyl)indole-3-carbaldehydeMFCD02681985C15H11NO3S1-Benzenesulfonyl-1H-indole-3-carbaldehydeNSC6281911H-Indole-3-carboxaldehyde, 1-(phenylsulfonyl)-1-(benzenesulfonyl)-1H-indole-3-carbaldehyde

이름 더 보기

1-(페닐설포닐)-3-인돌카르복살디히드1-(페닐술포닐)-1H-인돌-3-카르발데하이드NSC 628191BUTTPARK 98 4-06BUTTPARK 98\04-061-(Phenylsulfonyl)-3-formylindole3-Formyl-1-(phenylsulphonyl)-1H-indole1-(Phenylsulfonyl)indole-3-carbaldehyde1-PHENYLSULPHONYLINDOLE-3-CARBOXALDEHYDE1-(PHENYLSULFONYL)-3-INDOLECARBOXALDEHY&1-(Benzenesulfonyl)indole-3-carboxaldehyde

SCHEMBL7233391-(PHENYLSULFONYL)-1H-INDOLE-3-CARBOXALDEHYDEorb3144005CHEMBL1985336SCHEMBL29576861ZLARITBCJILRBL-UHFFFAOYSA-NNSC830794TYD-03344

데이터베이스 식별자

CAS: 80360-20-9
PubChem CID: 363334
ChEMBL: CHEMBL1985336
EC Number: 623-179-2
Nikkaji: J566.248F

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 64.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 20
형식 전하: 0
복잡도: 450

물리화학적 성질

녹는점: 157 · 157-161 °C(lit.)
끓는 점: 513.6 · 513.6±42.0 °C(Predicted)
밀도: 1.31 · 1.31±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): 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 39 reports by companies from 1 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.