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

Assay

97%

form

liquid

mp

45-47 °C (lit.)

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

H228,H301,H315,H318,H335

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

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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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
Jin-Kyun Lee et al.
Chemical communications (Cambridge, England), (39)(39), 4780-4782 (2008-10-03)
A high yielding, batch mode synthesis of diaryl ethers and sulfides by an S(N)Ar fluoride-mediated process in scCO(2) has been developed; the use of a polymer-supported imidazolium fluoride reagent in batch mode led to the development of a fixed-bed continuous
B van de Wier et al.
Chemico-biological interactions, 242, 139-144 (2015-10-03)
Cytochrome P450 2E1 (CYP2E1) expression and activity in the liver is associated with the degree of liver damage in patients with alcoholic steatohepatitis (ASH) as well as non-alcoholic steatohepatitis (NASH). CYP2E1 is known to generate reactive oxygen species, which leads
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