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Merck
CN

196851

1,3,5-Trifluorobenzene

97%

Synonym(s):

sym-Trifluorobenzene

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About This Item

Empirical Formula (Hill Notation):
C6H3F3
CAS Number:
372-38-3
Molecular Weight:
132.08
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24851802
EC Number:
206-751-2
Beilstein/REAXYS Number:
1906457
MDL number:
MFCD00000333

Key Documents

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Product Name

1,3,5-Trifluorobenzene, 97%

InChI key

JXUKFFRPLNTYIV-UHFFFAOYSA-N

InChI

1S/C6H3F3/c7-4-1-5(8)3-6(9)2-4/h1-3H

SMILES string

Fc1cc(F)cc(F)c1

assay

97%

form

liquid

refractive index

n20/D 1.414 (lit.)

bp

75-76 °C (lit.)

mp

−5.5 °C (lit.)

density

1.277 g/mL at 25 °C (lit.)

functional group

fluoro

Quality Level

100

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Application

1,3,5-Trifluorobenzene was used in the synthesis of (−)-epicatechin and its 3-O-gallate.

General description

Rotational Raman spectra of 1,3,5-trifluorobenzene has been studied under high resolution using a single mode argon laser as the exciting source. Proton and fluorine magnetic resonance spectra of 1,3,5-trifluorobenzene in a nematic liquid crystal has been analyzed.

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

WGK 2

flash_point_f

19.4 °F - closed cup

flash_point_c

-7 °C - closed cup

ppe

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

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
MKCX5469
MKCS9719
MKCV1478
MKCR3219
MKCM5339

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Analysis of the proton and fluorine magnetic resonance spectra of 1, 3, 5-trifluorobenzene dissolved in a nematic liquid crystal.
Yim CT and Gilson DFR.
Canadian Journal of Chemistry, 46(17), 2783-2786 (1968)
High resolution Raman spectroscopy of gases with laser sources. VI. The rotaitional spectra of 1, 3, 5-trifluorobenzene and hexafluorobenzene.
Schlupf J and Weber A.
Journal of Raman Spectroscopy, 1(1), 3-15 (1973)
Sven Stadlbauer et al.
Chemical communications (Cambridge, England), 48(67), 8425-8427 (2012-07-14)
Concise synthesis of (-)-epicatechin and its 3-O-gallate is described, illustrating efficacy of the new strategy for catechin-class polyphenols based on assembly of lithiated fluorobenzene and epoxy alcohol followed by a pyran cyclization. 1,3,5-Trifluorobenzene serves as the A-ring equivalent for functionalization

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