2-フルオロ-4-(トリフルオロメチル)ベンズアルデヒド

2-Fluoro-4-(trifluoromethyl)benzaldehyde

HCID 522929CAS 89763-93-9

部分構造検索類似構造を探す

基本情報

標準SMILES: O=Cc1ccc(C(F)(F)F)cc1F
InChIKey: KFEHNXLFIGPWNB-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-Fluoro-4-(trifluoromethyl)benzaldehyde
IUPAC: 2-fluoro-4-(trifluoromethyl)benzaldehyde
現地名: 2-フルオロ-4-(トリフルオロメチル)ベンズアルデヒド
英語名: 2-Fluoro-4-(trifluoromethyl)benzaldehyde
分子式: C8H4F4O
分子量: 192.11

名称と別名

2-Fluoro-4-(trifluoromethyl)benzaldehyde89763-93-9Benzaldehyde, 2-fluoro-4-(trifluoromethyl)-DTXSID10335113RefChem:87066DTXCID60286202618-296-0KFEHNXLFIGPWNB-UHFFFAOYSA-NC8H4F4OMFCD000613102-fluoro-4-trifluoromethylbenzaldehydeSCHEMBL153434

名称をさらに表示

2-フルオロ-4-(トリフルオロメチル)ベンズアルデヒドà,à,à,2-tetrafluoro-p-tolualdehyde2-Fluoro-4-(trifluoromethyl)benzaldehy2-Fluoro-4-(trifluoromethyl)benzaldehyde97%2-Fluoro-4-(trifluoromethyl)benzaldehyde 97%ALPHA,ALPHA,ALPHA,2-TETRAFLUORO-P-TOLUALDEHYDE3-Fluoro-4-formylbenzotrifluoride, alpha,alpha,alpha,2-Tetrafluoro-p-tolualdehyde

AKOS005256321CS-W007958PS-8341H-P-FLUORO-DL-PHE-OMEHCLAM62135FT-0612322SCHEMBL2140819SBB064507

データベース識別子

CAS: 89763-93-9
PubChem CID: 522929
DTXSID: DTXSID10335113
EC Number: 618-296-0
Nikkaji: J829.242F

物性

構造計算による物性

XLogP: 2.4
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: 189

物理化学的性質

沸点: 118 · 118-119 °C (lit.)
比重(密度): 1.41 g/mL · 1.41 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.45(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: 液体
色: 無色透明
比重: 1.41 · 1.41
BRN: 7703632 · 7703632
InChI: InChI=1S/C8H4F4O/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-4H
InChIKey: KFEHNXLFIGPWNB-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=C(C(F)(F)F)C=C1F
CAS データベース: 89763 · 89763-93-9(CAS DataBase Reference)

化学的性質

化学的特性colorless to light 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.