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Merck
CN

224944

4-(Trifluoromethyl)benzaldehyde

98%

Synonym(s):

α,α,α-Trifluoro-p-tolualdehyde

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About This Item

Linear Formula:
CF3C6H4CHO
CAS Number:
455-19-6
Molecular Weight:
174.12
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24853466
EC Number:
207-240-7
Beilstein/REAXYS Number:
1101680
MDL number:
MFCD00006952

Key Documents

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Product Name

4-(Trifluoromethyl)benzaldehyde, 98%

InChI key

BEOBZEOPTQQELP-UHFFFAOYSA-N

InChI

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

SMILES string

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

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.)

functional group

aldehyde
fluoro

Quality Level

100

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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

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

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

Storage Class

10 - Combustible liquids

wgk

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

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Certificates of Analysis (COA)

Lot/Batch Number
SDBB3914
STBL2216
STBL0515
STBK8216
STBK2338

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Journal of the American Chemical Society, 115, 8570-8570 (1993)
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).
Tetrahedron Asymmetry, 5, 411-411 (1994)
Tetrahedron Letters, 34, 1925-1925 (1993)
Synthesis and properties of new pyridine-bridged poly (ether-imide) s based on 4-(4-trifluoromethylphenyl)-2, 6-bis [4-(4-aminophenoxy) phenyl] pyridine.
Journal of Fluorine Chemistry, 129(1), 56-63 (2008)
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