5-트리플루오로메틸-2-옥신돌

5-(Trifluoromethyl)oxindole

HCID 3734457

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 71293-62-4
표준 SMILES: O=C1Cc2cc(C(F)(F)F)ccc2N1
InChIKey: RANTVMNWZIWPNR-UHFFFAOYSA-N
분자식: C9H6F3NO
평균 분자량: 201.14 g/mol
단동위원소 질량: 201.04014847

이름 및 식별자

우선 이름: 5-(Trifluoromethyl)oxindole
IUPAC: 5-(trifluoromethyl)-1,3-dihydroindol-2-one
현지명: 5-트리플루오로메틸-2-옥신돌
영어명: 5-Trifluoromethyl-2-oxindole
분자식: C9H6F3NO
분자량: 201.15

이름 및 동의어

5-(Trifluoromethyl)oxindoleRefChem:531794689-854-95-(trifluoromethyl)indolin-2-one71293-62-45-TRIFLUOROMETHYLOXINDOLE5-(trifluoromethyl)-1,3-dihydroindol-2-one5-(Trifluoromethyl)-2-oxindoleMFCD021796025-trifluoromethyl-oxindoleSCHEMBL578303DTXSID30395698

이름 더 보기

5-트리플루오로메틸-2-옥신돌5-(Trifluoromethyl)oxindole97%5-(Trifluoromethyl)oxindole 97%5-(Trifluoromethyl)-2-oxoindole5-(TRIFLUOROMETHYL)OXINDOLE ,98%5-(Trifluoromethyl)-2-oxindole97%5-(Trifluoromethyl)-2-oxindole 97%

AKOS015852833PS-64315-(TRIFLUOROMETHYL)-2,3-DIHYDRO-1H-INDOL-2-ONESY023530Z32348188715-Trifluoromethyl-2-oxindole1,3-Dihydro-5-(trifluoromethyl)-2H-indol-2-one (ACI); 5-(Trifluoromethyl)-1,3-dihydroindol-2-one; 5-(Trifluoromethyl)-2-oxindole; 5-(Trifluoromethyl)indolin-2-one; 5-(Trifluoromethyl)oxindole2H-Indol-2-one, 1,3-dihydro-5-(trifluoromethyl)-

데이터베이스 식별자

CAS: 71293-62-4
PubChem CID: 3734457
DTXSID: DTXSID30395698
EC Number: 689-854-9
Nikkaji: J1.987.075H

물성

구조 계산 물성

XLogP: 2
극성 표면적: 29.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 14
형식 전하: 0
복잡도: 251

물리화학적 성질

녹는점: 182 · 182-186
끓는 점: 283.4 · 283.4±40.0 °C(Predicted)
밀도: 1.391 · 1.391±0.06 g/cm3(Predicted)
저장 조건: 2 · Sealed in dry,2-8°C
용해도: 클로로포름, DMSO, 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 13.35 · 13.35±0.20(Predicted)
색상: 연한 갈색에서 진한 노란색까지
InChI: 1S/C9H6F3NO/c10-9(11,12)6-1-2-7-5(3-6)4-8(14)13-7/h1-3H,4H2,(H,13,14)
InChIKey: RANTVMNWZIWPNR-UHFFFAOYSA-N
SMILES: FC(F)(F)c1ccc2NC(=O)Cc2c1

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.