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Merck
CN

178470

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:
402-45-9
Molecular Weight:
162.11
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24850747
EC Number:
206-945-7
Beilstein/REAXYS Number:
1637019
MDL number:
MFCD00002363
Assay:
97%
Form:
liquid

Key Documents

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Product Name

4-(Trifluoromethyl)phenol, 97%

InChI key

BAYGVMXZJBFEMB-UHFFFAOYSA-N

InChI

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

SMILES string

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

assay

97%

form

liquid

mp

45-47 °C (lit.)

functional group

fluoro

storage temp.

2-8°C

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Application

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

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.

signalword

Danger

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

4.1B - Flammable solid hazardous materials

wgk

WGK 3

flash_point_f

183.2 °F - closed cup

flash_point_c

84 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCV7278
MKCT5171
MKCQ7722
MKCN7346
MKCL9392

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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.
Lisa Bauer et al.
ACS infectious diseases, 5(9), 1609-1623 (2019-07-16)
Enteroviruses (family Picornaviridae) comprise a large group of human pathogens against which no licensed antiviral therapy exists. Drug-repurposing screens uncovered the FDA-approved drug fluoxetine as a replication inhibitor of enterovirus B and D species. Fluoxetine likely targets the nonstructural viral
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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