219371

3-Fluorobenzotrifluoride

Name: 3-Fluorobenzotrifluoride
Brand: ALDRICH

99%

Synonym(s):

α,α,α,3-Tetrafluorotoluene

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About This Item

Linear Formula:

FC₆H₄CF₃

CAS Number:

401-80-9

Molecular Weight:

164.10

NACRES:

NA.22

PubChem Substance ID:

24853124

UNSPSC Code:

12352100

EC Number:

206-933-1

MDL number:

MFCD00000382

Key Documents

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Product Name

3-Fluorobenzotrifluoride, 99%

InChI key

GBOWGKOVMBDPJF-UHFFFAOYSA-N

InChI

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

SMILES string

Fc1cccc(c1)C(F)(F)F

assay

99%

form

liquid

refractive index

n20/D 1.4 (lit.)

bp

101-102 °C (lit.)

density

1.302 g/mL at 25 °C (lit.)

functional group

fluoro

Quality Level

100

Related Categories

Chemical Building Blocks

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Halogenated Heterocycles

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1 of 4

This Item	195359	346640	365831
Sigma-Aldrich 219371 3-Fluorobenzotrifluoride	Sigma-Aldrich 195359 4-Fluorobenzotrifluoride	Sigma-Aldrich 346640 4-Fluoro-3-nitrobenzotrifluoride	Sigma-Aldrich 365831 5-Fluoro-2-nitrobenzotrifluoride
assay 99%	assay 98%	assay 96%	assay 99%
Quality Level 100	Quality Level 100	Quality Level 100	Quality Level 100
form liquid	form liquid	form liquid	form -
density 1.302 g/mL at 25 °C (lit.)	density 1.293 g/mL at 25 °C (lit.)	density 1.494 g/mL at 25 °C (lit.)	density 1.497 g/mL at 25 °C (lit.)
refractive index n20/D 1.4 (lit.)	refractive index n20/D 1.401 (lit.)	refractive index n20/D 1.462 (lit.)	refractive index n20/D 1.46 (lit.)
bp 101-102 °C (lit.)	bp 102-105 °C (lit.)	bp 92 °C/15 mmHg (lit.)	bp 198-199 °C (lit.)

Application

3-Fluorobenzotrifluoride was used:

as fluorinated aromatic solvent to investigate electrogenerated chemiluminescence of 9,10-diphenylanthracene, rubrene and anthracene[1]
used to preparae 2-nitro-5-fluorobenzotrifluoride via nitration reaction[2]

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

44.6 °F - closed cup

flash_point_c

7 °C - closed cup

ppe

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

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Aromatic Fluorine Compounds. I. The Synthesis of 2, 5-and 3, 5-Difluorobenzotrifluorides1.

Finger GC and Reed FH.

Journal of the American Chemical Society, 66(11), 1972-1974 (1944)

Electrogenerated chemiluminescence of 9,10-diphenylanthracene, rubrene, and anthracene in fluorinated aromatic solvents.

David J Vinyard et al.

The journal of physical chemistry. A, 112(37), 8529-8533 (2008-08-30)

The electrogenerated chemiluminescence (ECL) of 9,10-diphenylanthracene (DPA), rubrene, and anthracene has been studied in fluorinated aromatic solvents. Mixed annihilation ECL between aromatic luminophores and quinones was observed in solvent systems containing acetonitrile and either benzene, benzotrifluoride, 3-fluorobenzotrifluoride, or 1,3-bis(trifluoromethyl)benzene. Increases

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