1-(4-(Trifluoromethyl)phenyl)ethan-1-one (HCID 69731)

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-TrifluoromethylacetophenoneMFCD00000401Ethanone, 1-[4-(trifluoromethyl)phenyl]-4-Trifluoromethylacetophenone4'-trifluoromethylacetophenoneTZ2PGR8637

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 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 190

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

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (93.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.；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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (93.9%)

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 · 2건

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.