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250694

Sigma-Aldrich

2-(Trifluoromethyl)benzaldehyde

98%

Synonym(s):

α,α,α-Trifluoro-o-tolualdehyde

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About This Item

Linear Formula:
CF3C6H4CHO
CAS Number:
447-61-0
Molecular Weight:
174.12
EC Number:
207-185-9
MDL number:
MFCD00003337
UNSPSC Code:
12352100
PubChem Substance ID:
24855067
NACRES:
NA.22

Assay

98%

form

liquid

refractive index

n20/D 1.466 (lit.)

density

1.32 g/mL at 25 °C (lit.)

functional group

aldehyde

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

Related Categories

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
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

141.8 °F - closed cup

Flash Point(C)

61 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCP4022
MKCH9348
MKCG8562
MKCC3362
MKBV8794V

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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
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)

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