2',5'-ジフルオロアセトフェノン

1-(2,5-Difluorophenyl)ethan-1-one

HCID 74794CAS 1979-36-8

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(=O)c1cc(F)ccc1F
InChIKey: HLAFIZUVVWJAKL-UHFFFAOYSA-N
分子式: C8H6F2O
平均分子量: 156.13 g/mol
単同位体質量: 156.03867125

名称と識別子

優先名称: 1-(2,5-Difluorophenyl)ethan-1-one
IUPAC: 1-(2,5-difluorophenyl)ethanone
現地名: 2',5'-ジフルオロアセトフェノン
英語名: 2',5'-Difluoroacetophenone
分子式: C8H6F2O
分子量: 156.13

名称と別名

1979-36-81-(2,5-Difluorophenyl)ethanone1-(2,5-Difluorophenyl)ethan-1-oneEINECS 217-837-4HLAFIZUVVWJAKL-UHFFFAOYSA-DTXSID30173498RefChem:420576DTXCID3095989217-837-4InChI=1/C8H6F2O/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4H,1H32',5'-Difluoroacetophenone2,5-Difluoroacetophenone

名称をさらに表示

2',5'-ジフルオロアセトフェノンメチル(2,5-ジフルオロフェニル)ケトン2，5ジフルオロアセトフェノン2′,5′-ジフルオロアセトフェノン2′,5′‐ジフルオロアセトフェノン1-(2,5-ジフルオロフェニル)エタン-1-オンTIMTEC-BB SBB0065732',5'-Difluoroacetophenone>2',5'-Difluoroacetophenone98%2',5'-Difluoroacetophenone 98%Methyl(2,5-difluorophenyl) ketone

Ethanone, 1-(2,5-difluorophenyl)-MFCD000098981-acetyl-2,5-difluorobenzene1-(2,5-Difluorophenyl)ethanone #CS-W010921PS-8846D26071-(2,5-Difluorophenyl)ethanone; 1-(2,5-Difluorophenyl)ethanone; 2,5-Difluorophenyl Methyl Ketone

データベース識別子

CAS: 1979-36-8
PubChem CID: 74794
DTXSID: DTXSID30173498
EC Number: 217-837-4
Nikkaji: J199.796C

物性

構造計算による物性

XLogP: 1.8
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: 3
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 158

物理化学的性質

沸点: 78 · 78-80°C 12mm
比重(密度): 1.233 g/mL · 1.233 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.4882(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Sealed in dry,Room Temperature
溶解性: クロロホルム、酢酸エチル
外見: 油
色: クリアイエロー
比重: 1.233 · 1.233
BRN: 2963573 · 2963573
InChI: 1S/C8H6F2O/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4H,1H3
InChIKey: HLAFIZUVVWJAKL-UHFFFAOYSA-N
SMILES: CC(=O)c1cc(F)ccc1F
CAS データベース: 1979 · 1979-36-8(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2',5'-Difluoroacetophenone(1979-36-8)

化学的性質

化学的特性clear colorless to yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

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 47 reports by companies from 6 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 CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 29147000
risk_code: 36/37/38
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 26-37/39
hazard_class: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野

使用2',5'-Difluoroacetophenone is used in the synthesis of pyrazole compounds as inhibitors of dipeptidyl peptidases. These compounds have been shown to produce anti-hyperglycemic effects.