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Merck
CN

250694

2-(Trifluoromethyl)benzaldehyde

98%

Synonym(s):

α,α,α-Trifluoro-o-tolualdehyde

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About This Item

Linear Formula:
CF3C6H4CHO
CAS Number:
Molecular Weight:
174.12
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
207-185-9
MDL number:
Assay:
98%
Form:
liquid
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assay

98%

form

liquid

refractive index

n20/D 1.466 (lit.)

density

1.32 g/mL at 25 °C (lit.)

functional group

aldehyde, fluoro

SMILES string

FC(F)(F)c1ccccc1C=O

InChI

1S/C8H5F3O/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-5H

InChI key

ZDVRPKUWYQVVDX-UHFFFAOYSA-N

Application

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


pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

141.8 °F - closed cup

flash_point_c

61 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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A homologous series of permanently charged 1,4-dihydropyridines: novel probes designed to localize drug binding sites on ion channels.
N Baindur et al.
Journal of medicinal chemistry, 36(23), 3743-3745 (1993-11-12)
J Alzeer et al.
Journal of medicinal chemistry, 43(4), 560-568 (2000-02-26)
Phenyl beta-methoxyacrylates, linked to an aromatic ring via an olefinic bridge, have been identified as novel, potentially inexpensive, antimalarial agents. The compounds are believed to exert their activity by inhibition of mitochondrial electron transport at the cytochrome bc(1) complex. A



Global Trade Item Number

SKUGTIN
250694-25G04061825937434
250694-100G04061836683535