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

名称と識別子

優先名称: 1-(4-(Trifluoromethyl)phenyl)ethan-1-one
IUPAC: 1-[4-(trifluoromethyl)phenyl]ethanone
現地名: 4'-(トリフルオロメチル)アセトフェノン
英語名: 4'-(Trifluoromethyl)acetophenone
分子式: C9H7F3O
分子量: 188.15

名称と別名

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

名称をさらに表示

4'-(トリフルオロメチル)アセトフェノン1-(トリフルオロメチル)-4-アセチルベンゼンp-(トリフルオロメチル)アセトフェノン4'-トリフルオロメチルアセトフェノン1-アセチル-4-(トリフルオロメチル)ベンゼン1-[4-(トリフルオロメチル)フェニル]エタノン4′‐（トリフルオロメチル）アセトフェノン4-アセチルベンゾトリフルオリド4′-(トリフルオロメチル)アセトフェノン1-[4-(トリフルオロメチル)フェニル]エタン-1-オン4′-トリフルオロメチルアセトフェノン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

データベース識別子

CAS: 709-63-7
PubChem CID: 69731
DTXSID: DTXSID80221130
UNII: TZ2PGR8637
EC Number: 211-913-0
Nikkaji: J193.080J

物性

構造計算による物性

XLogP: 2.6
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 190

物理化学的性質

融点: 30 · 30-33 °C(lit.)
沸点: 79 · 79-80 °C8 mm Hg(lit.)
比重(密度): 0.92 · 0.92
屈折率: 1.4604 · 1.4604
闪点: 184 °F · 184 °F
貯蔵温度: Sealed in dry,Room Temperature
外見: 低融点固体
色: 白色～微黄色
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
CAS データベース: 709 · 709-63-7(CAS DataBase Reference)
NISTの化学物質情報: 4 · 4-CF3-C6H4-COCH3(709-63-7)

化学的性質

化学的特性White to faintly yellow low melting solid

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (93.9%)

安全データ

wgk: 3
hs_code: 29147090
risk_code: 36/37/38-11
hazard_code: Xi,F
safety_code: 26-36-37/39-16
hazard_class: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 3 件

用途有機合成原料。

使用A labelled acetophenone with selective antimycobacterial activity.

一般的な説明The 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.