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529168

Sigma-Aldrich

2-(Trifluoromethoxy)benzaldehyde

96%

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About This Item

Linear Formula:
F3COC6H4CHO
CAS Number:
94651-33-9
Molecular Weight:
190.12
MDL number:
MFCD00042405
UNSPSC Code:
12352100
PubChem Substance ID:
24877655
NACRES:
NA.22

Quality Level

100

Assay

96%

refractive index

n20/D 1.454 (lit.)

bp

77 °C/20 mmHg (lit.)

density

1.332 g/mL at 25 °C (lit.)

SMILES string

FC(F)(F)Oc1ccccc1C=O

InChI

1S/C8H5F3O2/c9-8(10,11)13-7-4-2-1-3-6(7)5-12/h1-5H

InChI key

CPHXLFKIUVVIOQ-UHFFFAOYSA-N

Related Categories

Application

2-(Trifluoromethoxy)benzaldehyde may be used in the synthesis of tert-butyl N-[4-chloro-2-[α-hydroxy-α-2-(trifluoromethoxy)phenyl]]carbamate.

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)

153.0 °F - closed cup

Flash Point(C)

67.2 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCP2663
MKBX2336V
MKBS5972V
MKBL4516V
MKBJ9945V

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Frédéric Leroux et al.
The Journal of organic chemistry, 68(12), 4693-4699 (2003-06-07)
Trifluoromethoxy-substituted anilines undergo hydrogen/lithium permutation ("metalation") with optional site selectivity depending on the N-protective group employed. N-tert-Butoxycarbonyl-2- and -4-(trifluoromethoxy)aniline react with tert-butyllithium at the nitrogen-adjacent 6- and 2-position affording, after electrophilic trapping, products 1-6. In contrast, deprotonation of the para

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