기본 정보
- CAS
85013-98-5- 표준 SMILES
CC(=O)c1ccc(OC(F)(F)F)cc1- InChIKey
MOEXTBIPPMLEFX-UHFFFAOYSA-N- 분자식
- C9H7F3O2
- 평균 분자량
- 204.15 g/mol
- 단동위원소 질량
- 204.03981395
이름 및 식별자
- 우선 이름
- 1-(4-(Trifluoromethoxy)phenyl)ethan-1-one
- IUPAC
- 1-[4-(trifluoromethoxy)phenyl]ethanone
- 영어명
- 4'-(Trifluoromethoxy)acetophenone
- 분자식
- C9H7F3O2
- 분자량
- 204.15
이름 및 동의어
4'-(Trifluoromethoxy)acetophenone1-(4-(trifluoromethoxy)phenyl)ethanone1-[4-(trifluoromethoxy)phenyl]ethanone1-[4-(trifluoromethoxy)phenyl]ethan-1-one1-(4-(Trifluoromethoxy)phenyl)ethan-1-oneEthanone, 1-[4-(trifluoromethoxy)phenyl]-0Q4W8V7RF6UNII-0Q4W8V7RF6EINECS 285-066-0DTXSID10234076ETHANONE, 1-(4-(TRIFLUOROMETHOXY)PHENYL)-RefChem:74398
이름 더 보기
TrifluoroMethoxy acetophenoneP-(TRIFLUOROMETHOXY)ACETOPHENONE4-(TRIFLUOROMETHYLOXY)ACETOPHENONE4'-(Trifluoromethoxy)acetophenone98%4'-(Trifluoromethoxy)acetophenone 98%4'-(TrifluoroMethoxy)acetophenone, 97+%1-[4-(TrifluoroMethoxy)phenyl]-1-ethanone
DTXCID10156567285-066-085013-98-54'-Trifluoromethoxyacetophenone4-(Trifluoromethoxy)acetophenoneMFCD000424041-(4-Trifluoromethoxy-phenyl)-ethanone4-trifluoromethoxyacetophenone
데이터베이스 식별자
- CAS
85013-98-5- PubChem CID
- 522821
- DTXSID
DTXSID10234076- UNII
- 0Q4W8V7RF6
- EC Number
- 285-066-0
- Nikkaji
- J309.591F
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 205
물리화학적 성질
- 끓는 점
- 100 °C · 100 °C
- 밀도
- 1.278 g/mL · 1.278 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.455(lit.)
- 인화점
- 190 °F · 190 °F
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- 결정성 분말
- Specific Gravity
- 1.278 · 1.278
- 색상
- 노란색에서 밝은 갈색까지
- BRN
- 5930486 · 5930486
- InChI
- 1S/C9H7F3O2/c1-6(13)7-2-4-8(5-3-7)14-9(10,11)12/h2-5H,1H3
- InChIKey
- MOEXTBIPPMLEFX-UHFFFAOYSA-N
- SMILES
- CC(=O)c1ccc(OC(F)(F)F)cc1
- NIST
- 1 · Ethanone, 1-[4-(trifluoromethoxy)phenyl]-(85013-98-5)
화학적 성질
clear yellow liquid
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (40%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (80%)
안전 데이터
- wgk
- 3
- HS 번호
- 29147000
- risk_code
- 36/37/38-22
- hazard_code
- Xi
- safety_code
- 26-36/37/39-23-37/39
- 위험 등급
- IRRITANT
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
일반 설명4′-(Trifluoromethoxy)acetophenone is an organic building block. It is also referred as p-(trifluoromethoxy)acetophenone.
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상류 원료
하류 제품
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