2,3,5,6-テトラフルオロベンズアルデヒド

2,3,5,6-Tetrafluorobenzaldehyde

HCID 601331CAS 19842-76-3

部分構造検索類似構造を探す

基本情報

標準SMILES: O=Cc1c(F)c(F)cc(F)c1F
InChIKey: YIRYOMXPMOLQSO-UHFFFAOYSA-N
分子式: C7H2F4O
平均分子量: 178.08 g/mol
単同位体質量: 178.00417756

名称と識別子

優先名称: 2,3,5,6-Tetrafluorobenzaldehyde
IUPAC: 2,3,5,6-tetrafluorobenzaldehyde
現地名: 2,3,5,6-テトラフルオロベンズアルデヒド
英語名: 2,3,5,6-TETRAFLUOROBENZALDEHYDE
分子式: C7H2F4O
分子量: 178.08

名称と別名

2,3,5,6-Tetrafluorobenzaldehyde19842-76-3DTXSID50345039RefChem:81369DTXCID50296113626-553-3YIRYOMXPMOLQSO-UHFFFAOYSA-NMFCD00167387Benzaldehyde, 2,3,5,6-tetrafluoro-SCHEMBL4411312,3,5,6-Tetrafluorobenzaldehyde, 97%AS-36734

名称をさらに表示

2,3,5,6-テトラフルオロベンズアルデヒド2,3,5,6-Tetrafluorobenzaldehyd2,3,5,6-Tetrafluorobenzaldehyde,97%2,3,5,6-Tetrafluorobenzaldehyde, 97% 1GR2,3,5,6-tetrafluorobenzenemethylaldehyde2,3,5,6-TETRAFLUOROBENZALDEHYDE ISO 9001：2015 REACH

SY050417CS-0157871T1898Z1203162139AM20030285FT-0609422A813989SCHEMBL3974422

データベース識別子

CAS: 19842-76-3
PubChem CID: 601331
DTXSID: DTXSID50345039
EC Number: 626-553-3
Nikkaji: J1.118.218F

物性

構造計算による物性

XLogP: 1.9
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: 12
形式電荷: 0
複雑度: 161

物理化学的性質

沸点: 178 °C · 178 °C (lit.)
比重(密度): 1.525 g/mL · 1.525 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.469(lit.)
闪点: 165 °F · 165 °F
貯蔵温度: Inert atmosphere,Room Temperature
外見: clear liquid
色: Colorless to Light orange to Yellow
比重: 1.525 · 1.525
InChI: 1S/C7H2F4O/c8-4-1-5(9)7(11)3(2-12)6(4)10/h1-2H
InChIKey: YIRYOMXPMOLQSO-UHFFFAOYSA-N
SMILES: Fc1cc(F)c(F)c(C=O)c1F
CAS データベース: 19842 · 19842-76-3(CAS DataBase Reference)

化学的性質

化学的特性clear 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 42 reports by companies from 5 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: 29130000
risk_code: 36/37/38
消防法: 危-4-3-III
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39
hazard_class: IRRITANT, AIR SENSITIVE
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2,3,5,6-Tetrafluorobenzaldehyde was used in the preparation of 1,3-bis(2,4,6-trimethylphenyl)-2-(2,3,5,6-tetrafluorophenyl)imidazolidine and 1,3-dimethyl-2-(2,3,5,6-tetrafluorophenyl)imidazolidine.

一般的な説明2,3,5,6-Tetrafluorobenzaldehyde is a polysubstituted benzaldehyde and was evaluated as a substrate of PmHNL (Prunus mume hydroxynitrile lyase). Reaction of 2,3,5,6-tetrafluorobenzaldehyde with dipyrromethane was reported.

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