4-フルオロ-1-(トリフルオロメトキシ)ベンゼン

4-(Trifluoromethoxy)fluorobenzene

HCID 67698

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 352-67-0
標準SMILES: Fc1ccc(OC(F)(F)F)cc1
InChIKey: JULMJGDXANEQDP-UHFFFAOYSA-N
分子式: C7H4F4O
平均分子量: 180.1 g/mol
単同位体質量: 180.0198274

名称と識別子

優先名称: 4-(Trifluoromethoxy)fluorobenzene
IUPAC: 1-fluoro-4-(trifluoromethoxy)benzene
現地名: 4-フルオロ-1-(トリフルオロメトキシ)ベンゼン
英語名: 4-(Trifluoromethoxy)fluorobenzene
分子式: C7H4F4O
分子量: 180.1

名称と別名

1-Fluoro-4-(trifluoromethoxy)Benzene352-67-04-(Trifluoromethoxy)fluorobenzeneBenzene, 1-fluoro-4-(trifluoromethoxy)-p,alpha,alpha,alpha-TetrafluoroanisoleGY6RDC3FBTEINECS 206-523-2DTXSID40188699ANISOLE, P,.ALPHA.,.ALPHA.,.ALPHA.-TETRAFLUORO-RefChem:517077DTXCID50111190ANISOLE, P,ALPHA,ALPHA,ALPHA-TETRAFLUORO-

名称をさらに表示

4-フルオロ-1-(トリフルオロメトキシ)ベンゼン1-(トリフルオロメトキシ)-4-フルオロベンゼン4-(トリフルオロメトキシ)フェニルフルオリド1-フルオロ-4-(トリフルオロメトキシ)ベンゼン4-(トリフルオロメトキシ)フルオロベンゼンP-フルオロ(トリフルオロメトキシ)ベンゼンuoro-4-(trifL4-fluoro(trifluoromethyloveroverP-FLUORO(TRIFLUOROMETHOXY)BENZENEp-(Trifluoromethoxy)fluorobenzene4- hydroxyl -3-Methyl acetophenone4-(TRIFLUOROMETHOXY)-1-FLUORBENZENE4-(Trifluoromethoxy)phenyl fluoride

206-523-24-FLUORO(TRIFLUOROMETHOXY)BENZENEMFCD00040835p-Fluorophenyl trifluoromethyl ether1-Fluoro-4-trifluoromethoxy-benzenetrifluoro(4-fluorophenoxy)methaneUNII-GY6RDC3FBTp,A,A,A-Tetrafluoroanisole

データベース識別子

CAS: 352-67-0
PubChem CID: 67698
DTXSID: DTXSID40188699
UNII: GY6RDC3FBT
EC Number: 206-523-2
Nikkaji: J193.823A

物性

構造計算による物性

XLogP: 3.2
極性表面積: 9.2 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: 12
形式電荷: 0
複雑度: 137

物理化学的性質

沸点: 104 · 104-105 °C(lit.)
比重(密度): 1.323 g/mL · 1.323 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.394(lit.)
闪点: 60 °F · 60 °F
貯蔵温度: 30 °C · Store below +30°C.
外見: liquid
比重: 1.323 · 1.323
色: Clear, colourless
水溶解度: 混和しないか、水に混ざりにくい。
BRN: 2046330 · 2046330
InChI: InChI=1S/C7H4F4O/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H
InChIKey: JULMJGDXANEQDP-UHFFFAOYSA-N
SMILES: C1(F)=CC=C(OC(F)(F)F)C=C1
CAS データベース: 352 · 352-67-0(CAS DataBase Reference)
NISTの化学物質情報: P-fluorophenyl trifluoromethyl ether(352-67-0)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 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.