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Key Documents

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:
Molecular Weight:
174.12
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

98%

form

liquid

refractive index

n20/D 1.466 (lit.)

density

1.32 g/mL at 25 °C (lit.)

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

Signal Word

Warning

Hazard Statements

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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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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