4'-フルオロ-α,α,α-トリフルオロアセトフェノン

2,2,2,4'-Tetrafluoroacetophenone

HCID 69564CAS 655-32-3

部分構造検索類似構造を探す

基本情報

標準SMILES: O=C(c1ccc(F)cc1)C(F)(F)F
InChIKey: LUKLMXJAEKXROG-UHFFFAOYSA-N
分子式: C8H4F4O
平均分子量: 192.11 g/mol
単同位体質量: 192.01982763

名称と識別子

優先名称: 2,2,2,4'-Tetrafluoroacetophenone
IUPAC: 2,2,2-trifluoro-1-(4-fluorophenyl)ethanone
現地名: 4'-フルオロ-α,α,α-トリフルオロアセトフェノン
英語名: 2,2,2,4'-Tetrafluoroacetophenone
分子式: C8H4F4O
分子量: 192.11

名称と別名

655-32-32,2,2,4'-Tetrafluoroacetophenone2,2,2-trifluoro-1-(4-fluorophenyl)ethanone2,2,2-Trifluoro-1-(4-fluorophenyl)ethan-1-onep-FluorotrifluoroacetophenoneEthanone, 2,2,2-trifluoro-1-(4-fluorophenyl)-Acetophenone, 2,2,2,4'-tetrafluoro-1-(4-fluorophenyl)-2,2,2-trifluoroethanoneY27QD2KWG8p,alpha,alpha,alpha-TetrafluoroacetophenoneEINECS 211-509-4NSC 158171

名称をさらに表示

1-(4-フルオロフェニル)-2,2,2-トリフルオロエタノン(4-フルオロベンゾイル)トリフルオロメタンα,α,α,4'-テトラフルオロアセトフェノン4',α,α,α-テトラフルオロアセトフェノン4'-フルオロ-α,α,α-トリフルオロアセトフェノン4-フルオロフェニル(トリフルオロメチル)ケトンα，α，α，4′‐テトラフルオロアセトフェノン2,2,2,4'-テトラフルオロアセトフェノン4-フルオロ-Α,Α,Α-トリフルオロアセトフェノン2,2,2,4′-テトラフルオロアセトフェノンuoro-1-(4-fL4-Fluoro-,,-trifluoroEthanone, 2,2,2-trifLα,α,α,4-tetrafluoroacetophenone4-Fluoro-,,-trifluoroacetophenone(4-Fluorobenzoyl)trifluoromethane2,2,2,4'-Tetrafluoroacetophenone99%

NSC-158171DTXSID30609581-(4-Fluorophenyl)-2,2,2-trifluoroethan-1-oneRefChem:440377DTXCID4044618211-509-4MFCD00042393NSC158171

データベース識別子

CAS: 655-32-3
PubChem CID: 69564
DTXSID: DTXSID3060958
UNII: Y27QD2KWG8
EC Number: 211-509-4
Nikkaji: J205.947I

物性

構造計算による物性

XLogP: 2.3
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: 5
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 191

実験および物理化学的性質

SpringerMaterials PropertiesChemical shift

物理化学的性質

融点: 24 · 24-27 °C(lit.)
沸点: 66 · 66-67 °C34 mm Hg(lit.)
比重(密度): 1.37 g/mL · 1.37 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.448(lit.)
闪点: 90 °F · 90 °F
貯蔵温度: 2 · Sealed in dry,2-8°C
外見: powder to lump to clear liquid
色: White or Colorless to Light yellow
比重: 1.37 · 1.370
BRN: 1872824 · 1872824
InChI: 1S/C8H4F4O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4H
InChIKey: LUKLMXJAEKXROG-UHFFFAOYSA-N
SMILES: Fc1ccc(cc1)C(=O)C(F)(F)F
CAS データベース: 655 · 655-32-3(CAS DataBase Reference)
EPAの化学物質情報: 2 · Ethanone, 2,2,2-trifluoro-1-(4-fluorophenyl)- (655-32-3)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H228 (100%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesFlam. Sol. 1 (100%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 1325 4.1/PG 2
hs_code: 29147000
risk_code: 11-36/37/38
消防法: 危-4-2-III
hazard_code: F,Xi
hazard_note: Irritant
safety_code: 16-26-36
hazard_class: 3.2
packing_group: III
Hazard Classifications: Eye Irrit. 2Flam. Sol. 1Skin Irrit. 2STOT SE 3
ストレージクラス: 4.1B - Flammable solid hazardous materials

化学と産業

用途と製造

General Manufacturing InformationEthanone, 2,2,2-trifluoro-1-(4-fluorophenyl)-: INACTIVE

応用分野

使用2,2,2,4''-Tetrafluoroacetophenone is used in the stereoselective synthesis of trifluoromethyl-substituted 2H-furan-amines.

一般的な説明2,2,2,4′-Tetrafluoroacetophenone (α,α,α,4-Tetrafluoroacetophenone, 2,2,2-trifluoro-1-(4-fluorophenyl)ethanone) is a fluorinated building block. Its enthalpy of vaporization at boiling point has been reported.