196851
1,3,5-Trifluorobenzene
97%
Synonym(s):
sym-Trifluorobenzene
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About This Item
Empirical Formula (Hill Notation):
C6H3F3
CAS Number:
Molecular Weight:
132.08
Beilstein:
1906457
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
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
SMILES string
Fc1cc(F)cc(F)c1
InChI
1S/C6H3F3/c7-4-1-5(8)3-6(9)2-4/h1-3H
InChI key
JXUKFFRPLNTYIV-UHFFFAOYSA-N
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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.
Application
1,3,5-Trifluorobenzene was used in the synthesis of (−)-epicatechin and its 3-O-gallate.
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Product No.
Description
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Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
3 - Flammable liquids
WGK
WGK 2
Flash Point(F)
19.4 °F - closed cup
Flash Point(C)
-7 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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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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