1-(2,6-Difluorophenyl)ethan-1-one (HCID 83643)

名称と識別子

優先名称: 1-(2,6-Difluorophenyl)ethan-1-one
IUPAC: 1-(2,6-difluorophenyl)ethanone
現地名: 2',6'-ジフルオロアセトフェノン
英語名: 1-(2,6-Difluorophenyl)ethan-1-one
分子式: C8H6F2O
分子量: 156.13

名称と別名

13670-99-01-(2,6-Difluorophenyl)ethanone1-(2,6-Difluorophenyl)ethan-1-oneEINECS 237-151-9DTXSID10159891RefChem:420669DTXCID3082382237-151-92',6'-Difluoroacetophenone2,6-DifluoroacetophenoneEthanone, 1-(2,6-difluorophenyl)-MFCD00000328

名称をさらに表示

2',6'-ジフルオロアセトフェノン1-(2,6-ジフルオロフェニル)エタノン2，6ジフルオロアセトフェノン2′,6′‐ジフルオロアセトフェノン1-(2,6-ジフルオロフェニル)エタン-1-オン2′,6′-ジフルオロアセトフェノンTIMTEC-BB SBB0066862',6'-Difluoroacetophenone>2',6'-Difluoroacetophenone98%2',6'-Difluoroacetophenone 98%Benzamide,4-(1,4-dimethylethyl)-

Acetophenone, 2',6'-difluoro-1-acetyl-2,6-difluorobenzene2`,6`-Difluoroacetophenone2',6'-difluoro acetophenoneSCHEMBL167447SCHEMBL20956592',6'-Difluoroacetophenone, 97%1-(2,6-Difluoro-phenyl)-ethanone

データベース識別子

CAS: 13670-99-0
PubChem CID: 83643
DTXSID: DTXSID10159891
EC Number: 237-151-9
Nikkaji: J149.979C

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: 148

物理化学的性質

融点: 52 · 52-55°C
沸点: 76 · 76-79 °C15 mm Hg(lit.)
比重(密度): 1.197 g/mL · 1.197 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.48(lit.)
闪点: 170 °F · 170 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: クロロホルム（微量）、酢酸エチル（微量）
外見: 液体
比重: 1.197 · 1.197
色: 無色透明～微黄色透明
水溶解度: 水にわずかに溶ける。
BRN: 2046068 · 2046068
InChI: InChI=1S/C8H6F2O/c1-5(11)8-6(9)3-2-4-7(8)10/h2-4H,1H3
InChIKey: VGIIILXIQLXVLC-UHFFFAOYSA-N
SMILES: C1C(F)=C(C(=O)C)C(F)=CC=1
CAS データベース: 13670 · 13670-99-0(CAS DataBase Reference)
NISTの化学物質情報: 1 · Ethanone, 1-(2,6-difluorophenyl)-(13670-99-0)

化学的性質

化学的特性Clear colourless to light yellow liquid

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 (98%): 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 8 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. 2 (100%)；STOT SE 3 (98%)

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: 26-36/37/39
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2,6-Difluoroacetophenone was used in the synthesis of 2-amino-4-alkyl- and 2-amino-4-arylquinazolines.

一般的な説明2′,6′-Difluoroacetophenone undergoes ruthenium-catalyzed phenylation with phenylboronate via carbon-fluorine bond cleavage to yield 2′,6′-diphenylacetophenone.