CAS 60611-24-7 2-Fluoro-6-(trifluoromethyl)benzaldehyde (HCID 521933)

基本情報

CAS: 60611-24-7
標準SMILES: O=Cc1c(F)cccc1C(F)(F)F
InChIKey: FAKUGVHRTLCKHB-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-6-(trifluoromethyl)benzaldehyde
IUPAC: 2-fluoro-6-(trifluoromethyl)benzaldehyde
現地名: 2-フルオロ-6-(トリフルオロメチル)ベンズアルデヒド
英語名: 2-Fluoro-6-(trifluoromethyl)benzaldehyde
分子式: C8H4F4O
分子量: 192.11

名称と別名

2-Fluoro-6-(trifluoromethyl)benzaldehyde60611-24-7DTXSID10334787RefChem:87113DTXCID60285876625-623-0FAKUGVHRTLCKHB-UHFFFAOYSA-NMFCD000612732-fluoro-6-trifluoromethylbenzaldehyde2-fluoro-6-(trifluoromethyl)-benzaldehydeCK1042AKOS005063943

名称をさらに表示

2-フルオロ-6-(トリフルオロメチル)ベンズアルデヒドOTF-BAD-6F4-Fluoro-5'-hydroxybenzopheone2-Fluoro-6-trifluorobenzaldehydeα,α,α,6-Tetrafluoro-o-tolualdehydeα,α,α,6-Tetrafluoro-2-tolualdehydeà,à,à,6-tetrafluoro-o-tolualdehyde2-fluoro-6-(trifluoromethyl)benzald2-Fluor-6-trifluormethylbenzaldehyd

CS-W010713AC-28672BP-20071F1033EN300-248960Z1203162011Benzaldehyde, 2-fluoro-6-(trifluoromethyl)-2-fluoro-6-trifluor

データベース識別子

CAS: 60611-24-7
PubChem CID: 521933
DTXSID: DTXSID10334787
EC Number: 625-623-0
Nikkaji: J829.239F

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

融点: 155 · 155-157°C
沸点: 156 °C · 156 °C (lit.)
比重(密度): 1.432 g/mL · 1.432 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.458(lit.)
闪点: 179 °F · 179 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
外見: clear liquid
色: Colorless to Almost colorless
BRN: 2263481 · 2263481
InChI: InChI=1S/C8H4F4O/c9-7-3-1-2-6(5(7)4-13)8(10,11)12/h1-4H
InChIKey: FAKUGVHRTLCKHB-UHFFFAOYSA-N
SMILES: C(=O)C1=C(C(F)(F)F)C=CC=C1F
CAS データベース: 60611 · 60611-24-7(CAS DataBase Reference)

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 45 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
safety_code: 26-36
hazard_class: IRRITANT
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-Fluoro-6-(trifluoromethyl)benzaldehyde may be employed for the synthesis of diaryl ether, 2-(3,5-dimethoxyphenoxy)-6-(trifluoromethyl)- benzonitrile and substituted benzo[b]thiophene-2-carboxylates.

一般的な説明2-Fluoro-6-(trifluoromethyl)benzaldehyde participates in the synthesis of 2-amino-5-trifluoromethylquinazoline.