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Key Documents

178470

Sigma-Aldrich

4-(Trifluoromethyl)phenol

97%

Synonym(s):

α,α,α-Trifluoro-p-cresol, 4-Hydroxybenzotrifluoride

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About This Item

Linear Formula:
CF3C6H4OH
CAS Number:
Molecular Weight:
162.11
Beilstein:
1637019
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

97%

form

liquid

mp

45-47 °C (lit.)

functional group

fluoro

storage temp.

2-8°C

SMILES string

Oc1ccc(cc1)C(F)(F)F

InChI

1S/C7H5F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H

InChI key

BAYGVMXZJBFEMB-UHFFFAOYSA-N

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General description

4-(Trifluoromethyl)phenol molecule, bound at the active site of H61T (His-61→Thr) mutant, shows strong density.

4-(Trifluoromethyl)phenol also known as p-trifluoromethylphenol, is used in synthesis of polymers and monomers.

Application

4-(Trifluoromethyl)phenol (4-hydroxybenzotrifluoride) was used in the synthesis of diaryl ether.

Signal Word

Danger

Hazard Statements

Hazard Classifications

Acute Tox. 3 Oral - Eye Dam. 1 - Flam. Sol. 1 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

4.1B - Flammable solid hazardous materials

WGK

WGK 3

Flash Point(F)

183.2 °F - closed cup

Flash Point(C)

84 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Synthesis of Poly-p-oxyperfluorobenzylene and Related Polymers. A Novel Synthesis of the Monomer 2, 3, 5, 6-Tetrafluoro-4-trifluoromethylphenol
Journal of Research of the National Bureau of Standards, 71, 33-33 (1967)
Selina Tisler et al.
Environmental science & technology, 53(13), 7400-7409 (2019-05-29)
The present study investigates the transformation of the antidepressant fluoxetine (FLX) by photo- and biodegradation and shows similarities and differences in transformation products (TPs). TPs were identified using LC-high-resolution mass spectrometry with positive and negative electrospray ionization. In a sunlight
D C Thompson et al.
Chemico-biological interactions, 126(1), 1-14 (2000-05-29)
4-Trifluoromethylphenol (4-TFMP) was cytotoxic to precision-cut rat liver slices as indicated by loss of intracellular potassium. Intracellular glutathione levels decreased and fluoride ion levels increased in a time and concentration-dependent manner. The cytotoxicity of 4-TFMP did not appear to be
Przemysław Drzewicz et al.
Environmental technology, 40(25), 3265-3275 (2018-05-15)
A large amount of pharmaceuticals are flushed to environment via sewage system. The compounds are persistent in environment and are very difficult to remove in drinking water treatment processes. Degradation of fluoxetine (FLU) and fluvoxamine (FLX) by ferrate(VI) were investigated.
L J Urichuk et al.
Journal of chromatography. B, Biomedical sciences and applications, 698(1-2), 103-109 (1997-11-21)
An electron-capture gas chromatographic procedure was developed for the analysis of p-trifluoromethylphenol, an O-dealkylated metabolite of fluoxetine, in biological samples. A basic extraction of the biological sample was employed, followed by derivatization with pentafluorobenzenesulfonyl chloride. The internal standard, 2,4-dichlorophenol, was

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