ペンタフルオロベンズアルデヒド

Pentafluorobenzaldehyde

HCID 69558CAS 653-37-2

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)c(F)c(F)c1F
InChIKey: QJXCFMJTJYCLFG-UHFFFAOYSA-N
分子式: C7HF5O
平均分子量: 196.07 g/mol
単同位体質量: 195.99475575

概要

structure in first source

名称と識別子

優先名称: Pentafluorobenzaldehyde
IUPAC: 2,3,4,5,6-pentafluorobenzaldehyde
現地名: ペンタフルオロベンズアルデヒド
英語名: Pentafluorobenzaldehyde
分子式: C7HF5O
分子量: 196.07

名称と別名

Pentafluorobenzaldehyde2,3,4,5,6-Pentafluorobenzaldehyde653-37-2PerfluorobenzaldehydeBenzaldehyde, 2,3,4,5,6-pentafluoro-S9YIE3JZ4KNSC-96967DTXSID4022101RefChem:859800DTXCID802101211-502-6Benzaldehyde, pentafluoro-

名称をさらに表示

ペンタフルオロベンズアルデヒド2,3,4,5,6-ペンタフルオロベンズアルデヒド2,3,4,5,6-ペンタフルオロベンゼンカルボアルデヒドペルフルオロベンズアルデヒドPENTAFLUORBENZALDEHYDEPentafluorobenzaldehyde>Pentafluorobenzaldehyde 98%Pentafluorobenzaldehyde ,97%Pentafluorobenzaldehyde, 98+%Pentafluorobenzaldehyde,Min.97%

C7HF5OMFCD00003303EINECS 211-502-6QJXCFMJTJYCLFG-UHFFFAOYSA-2,4,5,6-PentafluorobenzaldehydeNSC96967STK400424EN300-20105

データベース識別子

CAS: 653-37-2
PubChem CID: 69558
DTXSID: DTXSID4022101
UNII: S9YIE3JZ4K
EC Number: 211-502-6
Nikkaji: J205.942H

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: 6
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 183

物理化学的性質

融点: 24 · 24-28 °C(lit.)
沸点: 164 · 164-166 °C(lit.)
比重(密度): 1.588 g/mL · 1.588 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.45(lit.)
闪点: 172 °F · 172 °F
貯蔵温度: 2 · Inert atmosphere,2-8°C
外見: 融解後の液体
比重: 1.588 · 1.588
色: クリアイエロー
水溶解度: 水にやや溶けにくい (25°C で 0.027 g/L)。
BRN: 1876550 · 1876550
InChI: InChI=1S/C7HF5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h1H
InChIKey: QJXCFMJTJYCLFG-UHFFFAOYSA-N
SMILES: C(=O)C1=C(F)C(F)=C(F)C(F)=C1F
CAS データベース: 653 · 653-37-2(CAS DataBase Reference)

化学的性質

化学的特性Freshly distilled pentafluorobenzaldehyde is a colourless liquid with a strong odour; clear yellowish liquid after melting; a lachrymator; soluble in common organic solvents and practically insoluble in water.

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, P317, 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 50 reports by companies from 10 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
rtecs: CU7542000
ridadr: UN 2810 6.1/PG 3
hs_code: 29130000
risk_code: 20/22-36/37/38-20
消防法: 危-4-3-III
hazard_code: Xn,F,Xi
hazard_note: Irritant
safety_code: 26-37/39
hazard_class: 6.1
packing_group: III
Hazard Classifications: Acute Tox. 4 InhalationEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

応用分野 · 2 件

使用Pentafluorobenzaldehyde was used as derivatization reagent in a study to develop a sensitive method for the determination of primary amines in sewage sludge by headspace solid-phase micro extraction and gas chromatography-tandem mass spectrometry. It was used in the synthesis of novel, high molecular weight fluorinated aromatic polymers.

一般的な説明2,3,4,5,6-Pentafluorobenzaldehyde reacts with 5-(aryl)dipyrromethanes to form a variety of meso-aryl [26]hexaphyrins.