175803

Sigma-Aldrich

Fluorobenzene-d5

98 atom % D, 99% (CP)

Linear Formula:
C6D5F
CAS Number:
Molecular Weight:
101.13
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.21
Pricing and availability is not currently available.

isotopic purity

98 atom % D

assay

99% (CP)

form

liquid

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

Related Categories

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.

Packaging

1, 5 g in ampule

Pictograms

FlameExclamation mark

Signal Word

Danger

Hazard Statements

Target Organs

Respiratory system

RIDADR

UN 2387 3 / PGII

WGK Germany

WGK 2

Flash Point(F)

8.6 °F - closed cup

Flash Point(C)

-13 °C - closed cup

Molecular motions of fluorobenzene-d5 in the dense fluid region.
DeZwaan J, et al.
J. Chem. Phys. , 60(8), 3223-3230 (1974)
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)
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)
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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