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195359

4-Fluorobenzotrifluoride

Name: 4-Fluorobenzotrifluoride
Brand: ALDRICH

98%

Synonym(s):

α,α,α,4-Tetrafluorotoluene

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About This Item

Linear Formula:

FC₆H₄CF₃

CAS Number:

402-44-8

Molecular Weight:

164.10

NACRES:

NA.22

PubChem Substance ID:

24851687

UNSPSC Code:

12352100

EC Number:

206-944-1

MDL number:

MFCD00000399

Assay:

98%

Form:

liquid

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Properties

Quality Level

100

assay

98%

form

liquid

refractive index

n20/D 1.401 (lit.)

bp

102-105 °C (lit.)

mp

−42-−41.7 °C (lit.)

density

1.293 g/mL at 25 °C (lit.)

functional group

fluoro

SMILES string

Fc1ccc(cc1)C(F)(F)F

InChI

1S/C7H4F4/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H

InChI key

UNNNAIWPDLRVRN-UHFFFAOYSA-N

Description

Application

4-Fluorobenzotrifluoride was used in the synthesis of:

2,2′-bis(trifluoromethylphenoxy)biphenyl via nucleophilic aromatic substitution reaction with 2,2′-biphenol
(S)-fluoxetine, potent inhibitor of neuronal serotonin-uptake
1-aryloxy-2-substituted aminomethyltetrahydronaphthalene derivatives

pictograms

GHS02,GHS07

signalword

Danger

hcodes

H225,H315,H319,H335

pcodes

P210 - P302 + P352 - P305 + P351 + P338

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

51.8 °F - closed cup

flash_point_c

11 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品

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Synthesis and appetite suppressant activity of 1-aryloxy-2-substituted aminomethyltetrahydronaphthalenes as conformationally rigid analogues of fluoxetine.

Kalpana Bhandari et al.

Bioorganic & medicinal chemistry, 14(8), 2535-2544 (2005-12-13)

Several 1-aryloxy-2-substituted aminomethyltetrahydronaphthalenes (7-21) as conformationally rigid analogues of fluoxetine were synthesized and evaluated for their anorexigenic and antidepressant activities. For SAR studies the related acyclic analogues (22-27) were also prepared. Out of the 21 synthesized compounds, 10 compounds (9

Synthesis of novel trifluoromethyl-bearing bifunctional acyl-acceptant arenes: 2,2'-bis(trifluoromethylated aryloxy)biphenyls.

Akiko Okamoto et al.

Journal of oleo science, 56(9), 479-491 (2007-09-28)

Novel bifunctional acyl-acceptant biphenyls bearing trifluoromethylated aroyloxy groups were successfully synthesized in high yields via TfOH-mediated electrophilic aromatic aroylation of fluorobenzene with CF(3)-bearing aroyl chlorides followed by nucleophilic aromatic substitution with 2,2'-biphenol. Similarly, 2,2'-bis(trifluoromethylphenoxy)biphenyl was synthesized via nucleophilic aromatic substitution

Absolute configurations and pharmacological activities of the optical isomers of fluoxetine, a selective serotonin-uptake inhibitor.

D W Robertson et al.

Journal of medicinal chemistry, 31(7), 1412-1417 (1988-07-01)

Fluoxetine is a potent and selective inhibitor of the neuronal serotonin-uptake carrier and is a clinically effective antidepressant. Although fluoxetine is used therapeutically as the racemate, there appears to be a small but demonstrable stereospecificity associated with its interactions with

Global Trade Item Number

SKU	GTIN
195359-5G	04061837071379
195359-25G	04061837071355