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기본 정보
- CAS
35853-41-9- 표준 SMILES
O=c1cc(C(F)(F)F)[nH]c2c(C(F)(F)F)cccc12- InChIKey
JIWHKBAFGFPZKM-UHFFFAOYSA-N- 분자식
- C11H5F6NO
- 평균 분자량
- 281.155 g/mol
- 단동위원소 질량
- 281.0275331
이름 및 식별자
- 우선 이름
- 2,8-Bis(trifluoromethyl)quinolin-4-ol
- IUPAC
- 2,8-Bis(trifluoromethyl)quinolin-4(1H)-one
- 영어명
- 2,8-Bis(trifluoromethyl)-4-quinolinol
- 분자식
- C11H5F6NO
- 분자량
- 281.15
이름 및 동의어
BUTTPARK 94\04-03Mefloquine Impurity 62,8-Bis(Trifluoromethyl)-4-Hyd2,8-Bis-(trifluoromethyl)-4-quinoli2,8-DI(TRIFLUOROMETHYL)QUINOLIN-4-OL2,8-BIS(TRIFLUOROMETHYL)QUINOLIN-4-OL2,8-BIS(TRIFLUOROMETHYL)-4-QUINOLINOL2,8-Bis(trifluoromethyl)quinoline-4-ol4-Quinolinol,2,8-bis(trifluoroMethyl)-2,8-BIS-TRIFLUOROMETHYL-4-HYDROXYCHINOLE
데이터베이스 식별자
- CAS
35853-41-9- PubChem CID
- 736140
- DTXSID
DTXSID20189402- ChEMBL
CHEMBL1312885- UNII
- VO1XSY74EW
- EC Number
- 252-762-0
- Nikkaji
- J319.548A
물성
물리화학적 성질
- 녹는점
- 130 · 130-134 °C(lit.)
- 끓는 점
- 305.9 · 305.9±37.0 °C(Predicted)
- 밀도
- 1.4837 · 1.4837 (estimate)
- 저장 조건
- Inert atmosphere,Room Temperature
- 산도 계수 (pKa)
- 5.84 · 5.84±0.40(Predicted)
- 물리적 상태
- 액체
- 색상
- 무색투명~미황색
- InChI
- InChI=1S/C11H5F6NO/c12-10(13,14)6-3-1-2-5-7(19)4-8(11(15,16)17)18-9(5)6/h1-4H,(H,18,19)
- InChIKey
- JIWHKBAFGFPZKM-UHFFFAOYSA-N
- SMILES
- N1C2C(=CC=CC=2C(F)(F)F)C(O)=CC=1C(F)(F)F
화학적 성질
light grey powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- ridadr
- 2811
- HS 번호
- 29334900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- 위험 등급
- IRRITANT
화학 및 산업
응용 분야
용도2,8-Bis(trifluoromethyl)-4-quinolinol is a simplified quinine derivative that exhibits the highest antifungal activity among its series and serves as a lead compound for further structural modification[6]. This compound acts as a starting material for synthesizing quinoline derivatives with various substitutions at the 4-OH position, including specific series such as compounds 4g–i[7-8]. It reacts with methyl chloroacetate in DMF using K2CO3 to form intermediates, and undergoes conversion to yield 4-bromo-2,8-bis(trifluoromethyl)quinoline[6].
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