2-(트리플루오로아세틸)피롤

Ethanone, 2,2,2-trifluoro-1-(1H-pyrrol-2-yl)-

HCID 137637

노트 반응

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기본 정보

CAS: 2557-70-2
표준 SMILES: O=C(c1ccc[nH]1)C(F)(F)F
InChIKey: UMVVPYXSJKIFST-UHFFFAOYSA-N
분자식: C6H4F3NO
평균 분자량: 163.098 g/mol
단동위원소 질량: 163.02449841

이름 및 식별자

우선 이름: Ethanone, 2,2,2-trifluoro-1-(1H-pyrrol-2-yl)-
IUPAC: 2,2,2-Trifluoro-1-(1H-pyrrol-2-yl)ethan-1-one
현지명: 2-(트리플루오로아세틸)피롤
영어명: 2-(TRIFLUOROACETYL)PYRROLE
분자식: C6H4F3NO
분자량: 163.1

이름 및 동의어

2-(트리플루오로아세틸)피롤2,2,2-TRIFLUORO-1-(1H-PYRROL-2-YL)ETHAN-1-ONE2-(TRIFLUOROACETYL)PYRROLE2-(Trifluoroacetyl)pyrrole 99%2-(Trifluoroacetyl)-1H-pyrrole2-(Trifluoroacetyl)-1H-pyrrole99%2-(Trifluoroacetyl)-1H-pyrrole 99%2-(Trifluoroacetyl)pyrrole - [T42304]2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanoneEthanone, 2,2,2-trifluoro-1-(1H-pyrrol-2-yl)-2,2,2-TRIFLUORO-1-(1H-PYRROL-2-YL)-1-ETHANONE

데이터베이스 식별자

CAS: 2557-70-2
PubChem CID: 137637
DTXSID: DTXSID50180260
ChEMBL: CHEMBL57763
EC Number: 624-872-2
Nikkaji: J461.922F

물성

물리화학적 성질

녹는점: 48 · 48-50 °C (lit.)
끓는 점: 193.9 · 193.9±35.0 °C(Predicted)
밀도: 1.409 · 1.409±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: solid
산도 계수 (pKa): 13.58 · 13.58±0.50(Predicted)
InChI: 1S/C6H4F3NO/c7-6(8,9)5(11)4-2-1-3-10-4/h1-3,10H
InChIKey: UMVVPYXSJKIFST-UHFFFAOYSA-N
SMILES: FC(F)(F)C(=O)c1ccc[nH]1

안전 및 규제

안전 데이터

wgk: 3
HS 번호: 2933998090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

일반 설명2-(Trifluoroacetyl)pyrrole, an α,α,α-trifluoromethyl ketone is a 2-substituted pyrrole derivative. It has been synthesized by reacting pyrrole with trifluoroacetic anhydride in benzene at 0°C. Its enantioselective hydrogenation to form corresponding alcohol using 5wt.% Pt/Al2O3 catalyst chirally modified by new synthetic chiral amines has been investigated.