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About This Item
Empirical Formula (Hill Notation):
C6H3F3
CAS Number:
Molecular Weight:
132.08
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
206-751-2
Beilstein/REAXYS Number:
1906457
MDL number:
Assay:
97%
Form:
liquid
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
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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.
signalword
Danger
hcodes
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
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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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