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Sigma-Aldrich

2-Hydroxy-5-(trifluoromethoxy)benzaldehyde

99%

Synonym(s):

5-(Trifluoromethoxy)salicylaldehyde

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About This Item

Linear Formula:
CF3OC6H3(OH)CHO
CAS Number:
93249-62-8
Molecular Weight:
206.12
MDL number:
MFCD00075249
UNSPSC Code:
12352100
PubChem Substance ID:
24861033
NACRES:
NA.22

Assay

99%

form

solid

bp

82 °C/60 mmHg (lit.)

mp

31-33 °C (lit.)

SMILES string

Oc1ccc(OC(F)(F)F)cc1C=O

InChI

1S/C8H5F3O3/c9-8(10,11)14-6-1-2-7(13)5(3-6)4-12/h1-4,13H

InChI key

WQUZBERVMUEJTD-UHFFFAOYSA-N

General description

2-Hydroxy-5-(trifluoromethoxy)benzaldehyde is formed as intermediate during the biotransformation pathways of CP-122,721 in humans.

Application

2-Hydroxy-5-(trifluoromethoxy)benzaldehyde may be used in the preparation of :
  • 2-[(E)-2-hydroxy-5-(trifluoromethoxy)benzylideneamino]-4-methylphenol
  • (E)-2-((3-fluorophenylimino)methyl)-4-(trifluoromethoxy) phenol
  • 2-[(E)-(naphthalen-2-ylimino) methyl]-4-(trifluoromethoxy) phenol

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

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °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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Aslı Tosyalı Karadağ et al.
Acta crystallographica. Section E, Structure reports online, 67(Pt 1), o95-o95 (2010-01-01)
The title compound, C(15)H(12)F(3)NO(3), is a Schiff base which adopts the cis-quinoid form in the solid state. The dihedral angle between the least-squares planes of the benzene rings being 3.6 (1)°. The F atoms of the -CF(3) group are disordered over
Yelda Bingöl Alpaslan et al.
Acta crystallographica. Section E, Structure reports online, 66(Pt 3), o510-o510 (2010-01-01)
The title compound, C(14)H(9)F(4)NO(2), is a Schiff base which adopts the phenol-imine tautomeric form in the solid state. The H atom is located on the hydr-oxy O atom rather than on the N atom. This H atom is involved in
Kevin Colizza et al.
Drug metabolism and disposition: the biological fate of chemicals, 35(6), 884-897 (2007-03-16)
The metabolism, pharmacokinetics, and excretion of a potent and selective substance P receptor antagonist, CP-122,721 [(+)-(2S,3S)-3-(2-methoxy-5-trifluoromethoxybenzylamino)-2-phenylpiperidine], have been studied in six healthy male human subjects [four extensive metabolizers (EMs) and two poor metabolizers (PMs) of CYP2D6) following oral administration of
2-[(E)-(Naphthalen-2-ylimino) methyl]-4-(trifluoromethoxy) phenol.
Pekdemir M, et al.
Acta Crystallographica Section E, Structure Reports Online, 68(4), o10204-o10204 (2012)

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