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195359

Sigma-Aldrich

4-Fluorobenzotrifluoride

98%

Sinónimos:

α,α,α,4-Tetrafluorotoluene

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About This Item

Fórmula lineal:
FC6H4CF3
Número de CAS:
402-44-8
Peso molecular:
164.10
EC Number:
206-944-1
MDL number:
MFCD00000399
UNSPSC Code:
12352100
PubChem Substance ID:
24851687
NACRES:
NA.22

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.)

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

Categorías relacionadas

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

FlameExclamation mark
GHS02,GHS07

signalword

Danger

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk_germany

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

Certificados de análisis (COA)

Busque Certificados de análisis (COA) introduciendo el número de lote del producto. Los números de lote se encuentran en la etiqueta del producto después de las palabras «Lot» o «Batch»

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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
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
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

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