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About This Item
Linear Formula:
C6D5F
CAS Number:
Molecular Weight:
101.13
EC Number:
MDL number:
UNSPSC Code:
12142201
PubChem Substance ID:
NACRES:
NA.21
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isotopic purity
98 atom % D
Assay
99% (CP)
form
liquid
technique(s)
NMR: suitable
refractive index
n20/D 1.4651 (lit.)
bp
84.4 °C (lit.)
density
1.078 g/mL at 25 °C
mass shift
M+5
SMILES string
[2H]c1c([2H])c([2H])c(F)c([2H])c1[2H]
InChI
1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H/i1D,2D,3D,4D,5D
InChI key
PYLWMHQQBFSUBP-RALIUCGRSA-N
General description
Fluorobenzene-d5 is a deuterated derivative of fluorobenzene having an isotopic purity of 98atom%D. It is an asymmetric top molecule.[1] The angular position correlation time, angular momentum correlation time (in the dense fluid region),[2] NMR spin-lattice relaxation times (of deuterium and fluorine atoms)[3] and resonance-enhanced multiphoton ionization spectrum[4] of fluorobenzene-d5 have been evaluated.
accessory
Product No.
Description
Pricing
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)
8.6 °F - closed cup
Flash Point(C)
-13 °C - closed cup
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Molecular motions of fluorobenzene-d5 in the dense fluid region.
DeZwaan J, et al.
J. Chem. Phys. , 60(8), 3223-3230 (1974)
Joe P Harris et al.
The Journal of chemical physics, 141(24), 244315-244315 (2015-01-03)
We report resonance-enhanced multiphoton ionization spectra of the isotopologues fluorobenzene-h5 and fluorobenzene-d5. By making use of quantum chemical calculations, the changes in the wavenumber of the vibrational modes upon deuteration are examined. Additionally, the mixing of vibrational modes both between
Reorientation and Angular Momentum Correlation Times in Fluorobenzene-d5 in the Liquid State.
Assink RA and Jonas J.
J. Chem. Phys. , 57(8), 3329-3336 (1972)
The Fokker-Planck-Langevin model for rotational brownian motion. V. Comparison with magnetic relaxation data for asymmetric top molecules.
Lee DH and McClung RED.
Journal of Magnetic Resonance, 73(1), 34-44 (1969)
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