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224944

Sigma-Aldrich

4-(Trifluoromethyl)benzaldehyde

98%

Synonym(s):

α,α,α-Trifluoro-p-tolualdehyde

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About This Item

Linear Formula:
CF3C6H4CHO
CAS Number:
Molecular Weight:
174.12
Beilstein/REAXYS Number:
1101680
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

98%

form

liquid

refractive index

n20/D 1.463 (lit.)

bp

66-67 °C/13 mmHg (lit.)

density

1.275 g/mL at 25 °C (lit.)

SMILES string

[H]C(=O)c1ccc(cc1)C(F)(F)F

InChI

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

InChI key

BEOBZEOPTQQELP-UHFFFAOYSA-N

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Related Categories

Application


  • Correlation data of (Z)-1-thiosemicarbazide via spectroscopic methods and Density Functional Theory studies: Synthesis of (Z)-1-[4-(trifluoromethyl)benzylidene]thiosemicarbazide using 4-(trifluoromethyl)benzaldehyde in ethanol (UM Osman et al., 2019).

  • Transition-Metal-Free Trifluoromethylation of Aldehyde Derivatives with Sodium Trifluoromethanesulfinate: Investigates the direct C-H trifluoromethylation of benzaldehyde and other synthetic equivalents (Z Tan et al., 2017).

Other Notes

May form precipitate upon standing which does not affect use. Warm gently to redissolve solid.

pictograms

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Warning

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

149.0 °F - closed cup

flash_point_c

65 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter


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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Tetrahedron Asymmetry, 5, 411-411 (1994)
Peng Cao et al.
The Journal of organic chemistry, 72(17), 6628-6630 (2007-07-28)
In the presence of sodium hydrosulfite and a catalytic amount of AsPh3 and Fe(TCP)Cl, aldehydes react with ethyl diazoacetate to give the corresponding alpha,beta-unsaturated esters in high yields with excellent stereoselectivities (E/Z > 50/1).
Journal of the American Chemical Society, 115, 8570-8570 (1993)
Tetrahedron Letters, 34, 1925-1925 (1993)
Tetrahedron, 49, 9613-9613 (1993)

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