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Details

Stereochemistry ACHIRAL
Molecular Formula C6H4F2
Molecular Weight 114.0928
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of P-DIFLUOROBENZENE

SMILES

FC1=CC=C(F)C=C1

InChI

InChIKey=QUGUFLJIAFISSW-UHFFFAOYSA-N
InChI=1S/C6H4F2/c7-5-1-2-6(8)4-3-5/h1-4H

HIDE SMILES / InChI

Molecular Formula C6H4F2
Molecular Weight 114.0928
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Dynamical consequences of symmetry breaking in benzene and difluorobenzene.
2010-10-07
Azole drugs are imported by facilitated diffusion in Candida albicans and other pathogenic fungi.
2010-09-30
Photophysics of fluorinated benzene. II. Quantum dynamics.
2010-08-28
Orientational mechanisms in liquid crystalline systems. 2. The contribution to solute ordering from the reaction field interaction between the solute electric quadrupole moment and the solvent electric field gradient.
2010-01-14
Difluorobenzenes revisited: an experimental and theoretical study of spin-spin coupling constants for 1,2-, 1,3-, and 1,4-difluorobenzene.
2010-01
Solid-state NMR and computational studies of tetratolyl urea calix[4]arene inclusion compounds.
2009-10-28
1,2,3-Trifluoro-benzene.
2009-10-07
1,3-Difluoro-benzene.
2009-10-07
Ionized o-, m-, and p-difluorobenzene dissociate through ring-opened intermediates: a TPEPICO investigation.
2009-01
Supramolecular enantiodifferentiating photoisomerization of (Z)-cyclooctene in lyotropic and thermotropic liquid crystals.
2009-01
2,3-Difluoro-N-(2-pyrid-yl)benzamide.
2008-11-20
Ethyl 2-(4-chloro-phenyl)-3-(2,4-di-fluoro-phenoxy)acrylate.
2008-11-20
The effects of volatile aromatic anesthetics on voltage-gated Na+ channels expressed in Xenopus oocytes.
2008-11
Multistate vibronic interactions in difluorobenzene radical cations. II. Quantum dynamical simulations.
2008-08-21
Multistate vibronic interactions in difluorobenzene radical cations. I. Electronic structure calculations.
2008-08-21
Solvation of O(2)(-) and O(4)(-) by p-difluorobenzene and p-xylene studied by photoelectron spectroscopy.
2008-03-14
Collisional relaxation of the three vibrationally excited difluorobenzene isomers by collisions with CO2: effect of donor vibrational mode.
2008-02-14
Accurate structures from combined gas electron diffraction and liquid crystal NMR data; the importance of anisotropy of indirect couplings for 1,4-difluorobenzene.
2008-02-07
Theoretical investigation of in-plane hydrogen-bonded complexes of ammonia with partially substituted fluorobenzenes.
2007-04-12
The p-difluorobenzene-argon S1 excited state intermolecular potential energy surface.
2006-12-14
Two-dimensional NMR spectroscopy in Earth's magnetic field.
2006-10
The conformational bias of aryl, arylsulfonyl geminally substituted tertiary carbon centers: applications in substrate-based stereocontrol.
2006-05-07
Contrasting roles of the N-methyl-D-aspartate receptor in the production of immobilization by conventional and aromatic anesthetics.
2006-05
Mimicking solvent shells in the gas phase. II. Solvation of K+.
2006-01-14
p-Difluorobenzene-argon ground state intermolecular potential energy surface.
2005-12-22
Photoelectron spectroscopy of S1 toluene: II. Intramolecular dynamics of selected vibrational levels in S1 toluene studied by nanosecond and picosecond time-resolved photoelectron spectroscopies.
2005-11-22
Potential-energy surface and van der Waals motions of p-difluorobenzene-argon cation.
2005-07-22
An unusual pi* shape resonance in the near-threshold photoionization of S1 para-difluorobenzene.
2005-06-08
Test of a chemical timing method for measuring absolute vibrational relaxation rate constants for S1 p-difluorobenzene.
2005-05-05
Potential-energy surface, dynamics of van der Waals motions, and vibronic transitions in p-difluorobenzene-argon complex.
2005-03-15
Virtual state scattering with cold electrons: para-xylene and para-difluorobenzene.
2005-02-15
High-resolution electronic spectrum of the p-difluorobenzene-water complex: structure and internal rotation dynamics.
2005-02-10
Ab initio calculations of stationary points on the benzene-Ar and p-difluorobenzene-Ar potential energy surfaces: barriers to bound orbiting states.
2004-09-08
The intramolecular vibrational energy redistribution threshold in S(1) deuterated p-difluorobenzene.
2004-09
A combined experimental and computational investigation of the microscopic external heavy atom effect in van der Waals clusters.
2004-07-08
Characteristics and relaxation dynamics of van der Waals complexes between p-difluorobenzene and Ne.
2004-06-22
Synthesis and antifungal activity of the 2,2,5-tetrahydrofuran regioisomers of SCH 51048.
2002-07-08
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 21:21:00 GMT 2025
Edited
by admin
on Mon Mar 31 21:21:00 GMT 2025
Record UNII
Y9FQ2EF0Z6
Record Status Validated (UNII)
Record Version
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Name Type Language
NSC-10286
Preferred Name English
P-DIFLUOROBENZENE
MI  
Common Name English
P-DIFLUOROBENZENE [MI]
Common Name English
1,4-DIFLUOROBENZENE
Systematic Name English
2,5-DIFLUOROBENZENE
Systematic Name English
Code System Code Type Description
CAS
540-36-3
Created by admin on Mon Mar 31 21:21:00 GMT 2025 , Edited by admin on Mon Mar 31 21:21:00 GMT 2025
PRIMARY
CHEBI
38585
Created by admin on Mon Mar 31 21:21:00 GMT 2025 , Edited by admin on Mon Mar 31 21:21:00 GMT 2025
PRIMARY
NSC
10286
Created by admin on Mon Mar 31 21:21:00 GMT 2025 , Edited by admin on Mon Mar 31 21:21:00 GMT 2025
PRIMARY
MERCK INDEX
m4437
Created by admin on Mon Mar 31 21:21:00 GMT 2025 , Edited by admin on Mon Mar 31 21:21:00 GMT 2025
PRIMARY Merck Index
PUBCHEM
10892
Created by admin on Mon Mar 31 21:21:00 GMT 2025 , Edited by admin on Mon Mar 31 21:21:00 GMT 2025
PRIMARY
ECHA (EC/EINECS)
208-742-9
Created by admin on Mon Mar 31 21:21:00 GMT 2025 , Edited by admin on Mon Mar 31 21:21:00 GMT 2025
PRIMARY
EPA CompTox
DTXSID1075432
Created by admin on Mon Mar 31 21:21:00 GMT 2025 , Edited by admin on Mon Mar 31 21:21:00 GMT 2025
PRIMARY
FDA UNII
Y9FQ2EF0Z6
Created by admin on Mon Mar 31 21:21:00 GMT 2025 , Edited by admin on Mon Mar 31 21:21:00 GMT 2025
PRIMARY