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3-(Trifluoromethyl)phenol

Name: 3-(Trifluoromethyl)phenol
Brand: ALDRICH
Price: 52.8 USD

99%

Synonym(s):

α,α,α-Trifluoro-m-cresol, 3-Hydroxybenzotrifluoride

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Pack Size	SKU	Availability	Price
25 g		Check Cart for Availability	$52.80
100 g		Estimated to ship onMay 04, 2026fromMILWAUKEE	$113.00

About This Item

Linear Formula:

CF₃C₆H₄OH

CAS Number:

98-17-9

Molecular Weight:

162.11

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24849588

EC Number:

202-645-5

Beilstein/REAXYS Number:

2045663

MDL number:

MFCD00002299

Assay:

99%

Form:

liquid

$52.80

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Properties

vapor pressure

0.56 mmHg ( 40 °C)

assay

99%

form

liquid

refractive index

n20/D 1.458 (lit.)

bp

178-179 °C (lit.)

mp

−2-−1.8 °C (lit.)

density

1.333 g/mL at 25 °C (lit.)

functional group

fluoro

SMILES string

Oc1cccc(c1)C(F)(F)F

InChI

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

InChI key

UGEJOEBBMPOJMT-UHFFFAOYSA-N

Description

Application

3-(Trifluoromethyl)phenol (3-Hydroxybenzotrifluoride) was used in the preparation of travoprost (antiglaucoma agent).

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This Item	219797	159387	250279
Sigma-Aldrich 156035 3-(Trifluoromethyl)phenol	Sigma-Aldrich 219797 2-Hydroxybenzotrifluoride	Sigma-Aldrich 159387 3-(Trifluoromethyl)phenyl isocyanate	Sigma-Aldrich 250279 3-(Trifluoromethyl)benzoyl chloride
assay 99%	assay 97%	assay 97%	assay 98%
Quality Level 100	Quality Level 100	Quality Level 100	Quality Level 100
bp 178-179 °C (lit.)	bp 147-148 °C (lit.)	bp 54 °C/11 mmHg (lit.)	bp 184-186 °C/750 mmHg (lit.)
mp −2-−1.8 °C (lit.)	mp 45-46 °C (lit.)	mp -	mp -
density 1.333 g/mL at 25 °C (lit.)	density -	density 1.359 g/mL at 25 °C (lit.)	density 1.383 g/mL at 25 °C (lit.)
refractive index n20/D 1.458 (lit.)	refractive index -	refractive index n20/D 1.467 (lit.)	refractive index n20/D 1.477 (lit.)

pictograms

GHS07

signalword

Warning

hcodes

H315,H319,H335

pcodes

P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

163.4 °F - closed cup

flash_point_c

73 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Boulton LT, et al.

Organic Process Research & Development, 6(2), 138-145 (2002)

Analysis of the association of cobalt(III) chelates with fluorine-containing phenols in supercritical carbon dioxide.

Akira Ohashi et al.

Talanta, 146, 789-794 (2015-12-24)

The solubilities of several cobalt(III) chelates (CoL3) with in supercritical carbon dioxide (SC-CO2) were investigated in the presence of fluorine- and trifluoromethyl-substituted phenols (PhOH) using UV-vis spectrophotometry. Solubility enhancement of CoL3 complexes in SC-CO2 was accomplished by adding PhOH. The

The many roles for fluorine in medicinal chemistry.

William K Hagmann

Journal of medicinal chemistry, 51(15), 4359-4369 (2008-06-24)

Global Trade Item Number

SKU	GTIN
156035-100G	04061837631863
156035-25G	04061838742391

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