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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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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
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
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)
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.
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