o-(Trifluoromethyl)benzaldehyde (HCID 123067)

名称と識別子

優先名称: o-(Trifluoromethyl)benzaldehyde
IUPAC: 2-(trifluoromethyl)benzaldehyde
現地名: 2-(トリフルオロメチル)ベンズアルデヒド
英語名: 2-(Trifluoromethyl)benzaldehyde
分子式: C8H5F3O
分子量: 174.12

名称と別名

2-(Trifluoromethyl)benzaldehyde447-61-0o-(Trifluoromethyl)benzaldehydeBenzaldehyde, 2-(trifluoromethyl)-EINECS 207-185-9DTXSID40196279EC 207-185-9RefChem:855180DTXCID00118770207-185-92-Trifluoromethylbenzaldehydealpha,alpha,alpha-Trifluoro-o-tolualdehyde

名称をさらに表示

2-(トリフルオロメチル)ベンズアルデヒドα,α,α-トリフルオロ-o-トルアルデヒドo-(トリフルオロメチル)ベンズアルデヒド2-トリフルオロメチルベンズアルデヒド2-(トリフルオロメチル)ベンゾイックアルデヒドOTF-BADo-benzaldehydeAKOS BBS-000031722-Formylbenzotrifluoride2-Trifluormethylbenzaldehydeo-trifluoromethylformaldehydeα,α,α-trifluoro-o-tolualdehydeà,à,à-trifluoro-o-tolualdehyde2-(Trifluoromthyl)benzaldehyde

A,A,A-TRIFLUORO-O-TOLUALDEHYDE2-(trifluoromethyl)-benzaldehydeo-trifluoromethylbenzaldehydeMFCD00003337trifluoromethylbenzaldehyde2-trifluoromethyibenzaldehydeo-trifluoromethyl benzaldehydeo-Tolualdehyde, .alpha.,.alpha.,.alpha.-trifluoro-

データベース識別子

CAS: 447-61-0
PubChem CID: 123067
DTXSID: DTXSID40196279
ChEMBL: CHEMBL4549081
UNII: NL9MFM543G
EC Number: 207-185-9
Nikkaji: J30.719J

物性

構造計算による物性

XLogP: 2.6
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: 4
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 164

実験および物理化学的性質

PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

物理化学的性質

融点: -40 °C · -40 °C
沸点: 70 · 70-71 °C (16 mmHg)
比重(密度): 1.32 g/mL · 1.32 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.466(lit.)
闪点: 142 °F · 142 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: ほとんどの有機溶剤に溶けます。
外見: 液体
比重: 1.32 · 1.320
色: 無色透明～微黄色透明
BRN: 2045512 · 2045512
InChI: 1S/C8H5F3O/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-5H
InChIKey: ZDVRPKUWYQVVDX-UHFFFAOYSA-N
SMILES: FC(F)(F)c1ccccc1C=O
LogP: 2.67 · 2.67
CAS データベース: 447 · 447-61-0(CAS DataBase Reference)
NISTの化学物質情報: 2 · Benzaldehyde, 2-(trifluoromethyl)-(447-61-0)

化学的性質

化学的特性clear colorless to slightly yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (11.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: Benzaldehyde, 2-(trifluoromethyl)-

Status: Cease Manufacture Update: 09-04-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6645

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesAcute Tox. 4 (11.8%)

安全データ

wgk: 3
ridadr: UN 1993 3/PG III
hs_code: 29124990
risk_code: 36/37/38
化審法: (3)-3811
消防法: 危-4-2-III
hazard_code: Xi
safety_code: 26-36/37/39-37/39-36
hazard_class: IRRITANT
packing_group: III
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 · 1 件

使用2-(Trifluoromethyl)benzaldehyde has been used in the preparation of ω-(dimethylamino)-alkylethyl-4(-2-(trifluorormethyl)phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylates, methyl (E)-2-[2-[(E)-2-(2-trifluoromethylphenyl)vinyl]-phenyl]-3-methoxyacrylate via Wittig-Horner reaction. It is a reagent used as electrophilic component in a wide array of reactions.