1-(4-(Trifluoromethyl)phenyl)ethan-1-one
기본 정보
- CAS
709-63-7- 표준 SMILES
CC(=O)c1ccc(C(F)(F)F)cc1- InChIKey
HHAISVSEJFEWBZ-UHFFFAOYSA-N- 분자식
- C9H7F3O
- 평균 분자량
- 188.15 g/mol
- 단동위원소 질량
- 188.04489933
이름 및 식별자
- 우선 이름
- 1-(4-(Trifluoromethyl)phenyl)ethan-1-one
- IUPAC
- 1-[4-(trifluoromethyl)phenyl]ethanone
- 영어명
- 4'-(Trifluoromethyl)acetophenone
- 분자식
- C9H7F3O
- 분자량
- 188.15
이름 및 동의어
1-[4-(Trifluoromethyl)phenyl]ethan-1-one1-(4-(Trifluoromethyl)phenyl)ethan-1-oneEINECS 211-913-0DTXSID80221130NSC 88346RefChem:424558DTXCID80143621211-913-0709-63-74'-(Trifluoromethyl)acetophenone1-(4-(trifluoromethyl)phenyl)ethanone1-[4-(Trifluoromethyl)phenyl]ethanone
이름 더 보기
1-(4-Trifluoromethyl-phenyl)-ethanone4-Acetylbe4-ACETYLBENZOFLUORIDEOn the trifluoroMethyl4-(trifluromethyl)acetophenone4-TRIFLUOROMETHYL BENZYLDEHYDE
4-(Trifluoromethyl)acetophenone4-Acetylbenzotrifluoridep-TrifluoromethylacetophenoneEthanone, 1-[4-(trifluoromethyl)phenyl]-MFCD000004014-TrifluoromethylacetophenoneNCIOpen2_0014871-Acetyl-4-(trifluoromethyl)benzene
데이터베이스 식별자
- CAS
709-63-7- PubChem CID
- 69731
- DTXSID
DTXSID80221130- UNII
- TZ2PGR8637
- EC Number
- 211-913-0
- Nikkaji
- J193.080J
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 190
실험 및 물리화학적 성질
SpringerMaterials PropertiesChemical shift
물리화학적 성질
- 녹는점
- 30 · 30-33 °C(lit.)
- 끓는 점
- 79 · 79-80 °C8 mm Hg(lit.)
- 밀도
- 0.92 · 0.92
- 굴절률
- 1.4604 · 1.4604
- 인화점
- 184 °F · 184 °F
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- 저융점 고체
- 색상
- 흰색에서 희미한 노란색
- BRN
- 1870425 · 1870425
- InChI
- 1S/C9H7F3O/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h2-5H,1H3
- InChIKey
- HHAISVSEJFEWBZ-UHFFFAOYSA-N
- SMILES
- CC(=O)c1ccc(cc1)C(F)(F)F
- NIST
- 4 · 4-CF3-C6H4-COCH3(709-63-7)
화학적 성질
White to faintly yellow low melting solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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)
Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 29147090
- risk_code
- 36/37/38-11
- hazard_code
- Xi,F
- safety_code
- 26-36-37/39-16
- 위험 등급
- IRRITANT
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도A labelled acetophenone with selective antimycobacterial activity.
일반 설명The enantioselective addition of dialkylzinc to 4′-(trifluoromethyl)acetophenone mediated by 1,2-bis(hydroxycamphorsulfonamido)cyclohexenes in the presence of titanium tetraisopropoxide has been investigated. Phosphorescence emission spectra of 4′-(trifluoromethyl)acetophenone has been studied using pulsed source phosphorimetry.
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하류 제품
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