175803
氟(代)苯-d5
98 atom % D, 99% (CP)
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关于此项目
线性分子式:
C6D5F
化学文摘社编号:
分子量:
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
存储类别
3 - Flammable liquids
wgk
WGK 2
flash_point_f
8.6 °F - closed cup
flash_point_c
-13 °C - closed cup
法规信息
危险化学品
此项目有
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)
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
Molecular motions of fluorobenzene-d5 in the dense fluid region.
DeZwaan J, et al.
J. Chem. Phys. , 60(8), 3223-3230 (1974)
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