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Sigma-Aldrich

3,5-Bis(trifluoromethyl)benzaldehyde

97%

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About This Item

Linear Formula:
(CF3)2C6H3CHO
CAS Number:
401-95-6
Molecular Weight:
242.12
Beilstein/REAXYS Number:
1884058
MDL number:
MFCD00010206
UNSPSC Code:
12352100
PubChem Substance ID:
24857429
NACRES:
NA.22

assay

97%

refractive index

n20/D 1.422 (lit.)

bp

37 °C/1.3 mmHg (lit.)

density

1.469 g/mL at 25 °C (lit.)

functional group

aldehyde

SMILES string

[H]C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI

1S/C9H4F6O/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-4H

InChI key

LDWLIXZSDPXYDR-UHFFFAOYSA-N

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Application

3,5-Bis(trifluoromethyl)benzaldehyde was used in the synthesis of of a series of meso-3,5-bis(trifluoromethyl)phenyl-substituted expanded porphyrins.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

156.2 °F - closed cup

flash_point_c

69 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
MKCP9491
MKCK6104
MKCK2547
MKCK2548
MKCH4221

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Soonchul Kang et al.
Chemistry, an Asian journal, 3(12), 2065-2074 (2008-11-14)
Trifluoroacetic acid-catalyzed condensation of pyrrole with electron-deficient and sterically hindered 3,5-bis(trifluoromethyl)benzaldehyde results in the unexpected production of a series of meso-3,5-bis(trifluoromethyl)phenyl-substituted expanded porphyrins including [22]sapphyrin 2, N-fused [22]pentaphyrin 3, [26]hexaphyrin 4, and intact [32]heptaphyrin 5 together with the conventional 5,10,15,20-tetrakis(3,5-bis(trifluoromethyl)phenyl)porphyrin
M M V Ramana et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 152, 165-171 (2015-07-25)
In the present work, isopropyl-6-amino-4-(3,5-bis(trifluoromethyl)phenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate (4H-pyran analog) has been synthesized by a three component reaction catalyzed by CsOH/γ-Al2O3 and characterized. The interaction of 4H-pyran analog with herring sperm DNA (hs DNA) under physiological conditions (phosphate buffer of pH 7.2) was

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