2-フルオロ-3-(トリフルオロメチル)ベンズアルデヒド

2-Fluoro-3-(trifluoromethyl)benzaldehyde

HCID 517978

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 112641-20-0
標準SMILES: O=Cc1cccc(C(F)(F)F)c1F
InChIKey: XDMZVNQKVMTCSP-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-3-(trifluoromethyl)benzaldehyde
IUPAC: 2-fluoro-3-(trifluoromethyl)benzaldehyde
現地名: 2-フルオロ-3-(トリフルオロメチル)ベンズアルデヒド
英語名: 2-Fluoro-3-(trifluoromethyl)benzaldehyde
分子式: C8H4F4O
分子量: 192.11

名称と別名

2-Fluoro-3-(trifluoromethyl)benzaldehyde112641-20-0DTXSID50333759RefChem:87048DTXCID60284849625-391-0XDMZVNQKVMTCSP-UHFFFAOYSA-NMFCD00061246Benzaldehyde, 2-fluoro-3-(trifluoromethyl)-2-fluoro-3-trifluoromethylbenzaldehydeSCHEMBL622545CK2108

名称をさらに表示

2-フルオロ-3-(トリフルオロメチル)ベンズアルデヒド2-tetrafluoro-m-tolualdehydeà,à,à,2-tetrafluoro-m-tolualdehyde2-Fluoro-3-(trifluoromethyl)benzaldehyde,98%2-Fluoro-3-(trifluoromethyl)benzaldehyde 97%2-Fluoro-3-(trifluoromethyl)benzaldehyde, 97+%alpha,alpha,alpha,2-Tetrafluoro-m-tolualdehyde2-Fluoro-3-formylbenzotrifluoride, alpha,alpha,alpha,2-Tetrafluoro-m-tolualdehyde

DS-2152PS-8344AC-333032-fluoro-3-(trifluoromethyl) benzaldehydeCS-0133004EN300-2188382-Fluoro-3-(trifluoromethyl)benzaldehyde, 95%2-fluoro-3-trifluoromethyl-benzaldehyde

データベース識別子

CAS: 112641-20-0
PubChem CID: 517978
DTXSID: DTXSID50333759
EC Number: 625-391-0
Nikkaji: J1.726.150I

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: 185 ℃ · 185℃
比重(密度): 1.393 g/mL · 1.393 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.455(lit.)
闪点: 164 °F · 164 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
外見: liquid
色: Clear, colourless
比重: 1.393 · 1.393
BRN: 8311752 · 8311752
InChI: 1S/C8H4F4O/c9-7-5(4-13)2-1-3-6(7)8(10,11)12/h1-4H
InChIKey: XDMZVNQKVMTCSP-UHFFFAOYSA-N
SMILES: Fc1c(C=O)cccc1C(F)(F)F
CAS データベース: 112641 · 112641-20-0(CAS DataBase Reference)

化学的性質

化学的特性Clear slightly 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.