175803
Fluorobenzene-d5
98 atom % D, 99% (CP)
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About This Item
Linear Formula:
C6D5F
CAS Number:
Molecular Weight:
101.13
NACRES:
NA.21
PubChem Substance ID:
UNSPSC Code:
12142201
EC Number:
215-831-6
MDL number:
Isotopic purity:
98 atom % D
Assay:
99% (CP)
Mass shift:
M+5
Form:
liquid
InChI key
PYLWMHQQBFSUBP-RALIUCGRSA-N
InChI
1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H/i1D,2D,3D,4D,5D
SMILES string
[2H]c1c([2H])c([2H])c(F)c([2H])c1[2H]
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
General description
Fluorobenzene-d5 is a deuterated derivative of fluorobenzene having an isotopic purity of 98atom%D. It is an asymmetric top molecule. The angular position correlation time, angular momentum correlation time (in the dense fluid region), NMR spin-lattice relaxation times (of deuterium and fluorine atoms) and resonance-enhanced multiphoton ionization spectrum of fluorobenzene-d5 have been evaluated.
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
8.6 °F - closed cup
flash_point_c
-13 °C - closed cup
Regulatory Information
危险化学品
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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)
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
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