1-메틸-3-(트리플루오로아세틸)-1H-인돌

1-Methyl-3-(trifluoroacetyl)-1H-indole

HCID 3524388CAS 318-54-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cn1cc(C(=O)C(F)(F)F)c2ccccc21
InChIKey: ICMIXFPYWFUAAL-UHFFFAOYSA-N
분자식: C11H8F3NO
평균 분자량: 227.18 g/mol
단동위원소 질량: 227.05579854

이름 및 식별자

우선 이름: 1-Methyl-3-(trifluoroacetyl)-1H-indole
IUPAC: 2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanone
현지명: 1-메틸-3-(트리플루오로아세틸)-1H-인돌
영어명: 1-Methyl-3-(trifluoroacetyl)-1H-indole
분자식: C11H8F3NO
분자량: 227.18

이름 및 동의어

1-Methyl-3-(trifluoroacetyl)-1H-indoleRefChem:434188899-791-0318-54-72,2,2-trifluoro-1-(1-methylindol-3-yl)ethanone2,2,2-Trifluoro-1-(1-methyl-1H-indol-3-yl)ethan-1-oneMFCD025712162,2,2-Trifluoro-1-(1-methyl-1H-indol-3-yl)ethanoneSMR0001799542,2,2-trifluoro-1-(1-methyl-3-indolyl)ethanoneMLS000546556SCHEMBL3005876

이름 더 보기

1-메틸-3-(트리플루오로아세틸)-1H-인돌N-methyl-3-trifluoroacetylindole2,2,2-Trifluoro-1-(1-methyl-1H-indol-3-yl)ethanolEthanone, 2,2,2-trifluoro-1-(1-methyl-1H-indol-3-yl)-2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanone - [T86469]

SCHEMBL6021109CHEMBL14942122,2,2-trifluoro-1-(1-methyl-1H-indol-3-yl)-1-ethanoneDTXSID20393300Ethanone,2,2,2-trifluoro-1-(1-methyl-1H-indol-3-yl)-HMS2306K131-Methylindole, 3-trifluoroacetyl-SBB097106

데이터베이스 식별자

CAS: 318-54-7
PubChem CID: 3524388
DTXSID: DTXSID20393300
ChEMBL: CHEMBL1494212
EC Number: 899-791-0
Nikkaji: J1.032.163H

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 22 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 16
형식 전하: 0
복잡도: 289

물리화학적 성질

녹는점: 105 °C · 105 °C
끓는 점: 299.8 · 299.8±35.0 °C(Predicted)
밀도: 1.3 · 1.30±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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.