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178470

4-(Trifluoromethyl)phenol

Name: 4-(Trifluoromethyl)phenol
Brand: ALDRICH

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

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Properties

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

Description

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.

pictograms

GHS02,GHS06,GHS05

signalword

Danger

hcodes

H228,H301,H315,H318,H335

pcodes

P210 - P240 - P280 - P301 + P310 - P302 + P352 - P305 + P351 + P338

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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Spontaneous hydrolysis of 4-trifluoromethylphenol to a quinone methide and subsequent protein alkylation.

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

Transformation Products of Fluoxetine Formed by Photodegradation in Water and Biodegradation in Zebrafish Embryos ( Danio rerio).

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

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)

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Global Trade Item Number

SKU	GTIN
178470-5G	04061838753786
178470-25G	04061838753779
178470-1G	04061838753762