Home Fluorides 540-36-3
540-36-3,MFCD00000344
Catalog No.:AA00I9KB

540-36-3 | 1,4-Difluorobenzene

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5g
>99.0%(GC)
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25g
>99.0%(GC)
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00I9KB
Chemical Name:
1,4-Difluorobenzene
CAS Number:
540-36-3
Molecular Formula:
C6H4F2
Molecular Weight:
114.0928
MDL Number:
MFCD00000344
SMILES:
Fc1ccc(cc1)F
NSC Number:
10286
Properties
Properties
 
BP:
89.0°C  
Form:
Liquid  
MP:
-13 °C  
Refractive Index:
n20/D 1.441(lit.)  
Solubility:
1.2g/l  
Storage:
Room Temperature;Keep in dry area;  

Computed Properties
 
Complexity:
54.9  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
XLogP3:
2.2  

Literature

Title: Full dimensional quantum-mechanical simulations for the vibronic dynamics of difluorobenzene radical cation isomers using the multilayer multiconfiguration time-dependent Hartree method.

Journal: The Journal of chemical physics 20121007

Title: 3-(Adamantan-1-yl)-4-[(E)-(2,6-difluoro-benzyl-idene)amino]-1-[(4-phenyl-piperazin-1-yl)meth-yl]-1H-1,2,4-triazole-5(4H)-thione.

Journal: Acta crystallographica. Section E, Structure reports online 20120701

Title: Synthesis and structure-activity relationship study of antimicrotubule agents phenylahistin derivatives with a didehydropiperazine-2,5-dione structure.

Journal: Journal of medicinal chemistry 20120209

Title: Optimizing sensitization processes in dinuclear luminescent lanthanide oligomers: selection of rigid aromatic spacers.

Journal: Journal of the American Chemical Society 20111012

Title: Multi-state multi-mode nuclear dynamics on three isomers of C6H4F2+ using parallelized TDDVR approach.

Journal: Physical chemistry chemical physics : PCCP 20110921

Title: Competition between Birch reduction and fluorine abstraction in reactions of hydrated electrons (H2O)n(-) with the isomers of di- and trifluorobenzene.

Journal: Physical chemistry chemical physics : PCCP 20110521

Title: A specific two-pore domain potassium channel blocker defines the structure of the TASK-1 open pore.

Journal: The Journal of biological chemistry 20110422

Title: Dynamical consequences of symmetry breaking in benzene and difluorobenzene.

Journal: The Journal of chemical physics 20101007

Title: Azole drugs are imported by facilitated diffusion in Candida albicans and other pathogenic fungi.

Journal: PLoS pathogens 20100901

Title: Photophysics of fluorinated benzene. II. Quantum dynamics.

Journal: The Journal of chemical physics 20100828

Title: 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.

Journal: The journal of physical chemistry. B 20100114

Title: Difluorobenzenes revisited: an experimental and theoretical study of spin-spin coupling constants for 1,2-, 1,3-, and 1,4-difluorobenzene.

Journal: Magnetic resonance in chemistry : MRC 20100101

Title: 1,3-Difluoro-benzene.

Journal: Acta crystallographica. Section E, Structure reports online 20091101

Title: 1,2,3-Trifluoro-benzene.

Journal: Acta crystallographica. Section E, Structure reports online 20091101

Title: Solid-state NMR and computational studies of tetratolyl urea calix[4]arene inclusion compounds.

Journal: Physical chemistry chemical physics : PCCP 20091028

Title: Supramolecular enantiodifferentiating photoisomerization of (Z)-cyclooctene in lyotropic and thermotropic liquid crystals.

Journal: Chirality 20090101

Title: Ionized o-, m-, and p-difluorobenzene dissociate through ring-opened intermediates: a TPEPICO investigation.

Journal: Journal of the American Society for Mass Spectrometry 20090101

Title: Ethyl 2-(4-chloro-phenyl)-3-(2,4-di-fluoro-phenoxy)acrylate.

Journal: Acta crystallographica. Section E, Structure reports online 20081201

Title: 2,3-Difluoro-N-(2-pyrid-yl)benzamide.

Journal: Acta crystallographica. Section E, Structure reports online 20081201

Title: The effects of volatile aromatic anesthetics on voltage-gated Na+ channels expressed in Xenopus oocytes.

Journal: Anesthesia and analgesia 20081101

Title: Multistate vibronic interactions in difluorobenzene radical cations. I. Electronic structure calculations.

Journal: The Journal of chemical physics 20080821

Title: Multistate vibronic interactions in difluorobenzene radical cations. II. Quantum dynamical simulations.

Journal: The Journal of chemical physics 20080821

Title: Solvation of O(2)(-) and O(4)(-) by p-difluorobenzene and p-xylene studied by photoelectron spectroscopy.

Journal: The Journal of chemical physics 20080314

Title: Collisional relaxation of the three vibrationally excited difluorobenzene isomers by collisions with CO2: effect of donor vibrational mode.

Journal: The journal of physical chemistry. A 20080214

Title: Accurate structures from combined gas electron diffraction and liquid crystal NMR data; the importance of anisotropy of indirect couplings for 1,4-difluorobenzene.

Journal: Physical chemistry chemical physics : PCCP 20080207

Title: Theoretical investigation of in-plane hydrogen-bonded complexes of ammonia with partially substituted fluorobenzenes.

Journal: The journal of physical chemistry. A 20070412

Title: The p-difluorobenzene-argon S1 excited state intermolecular potential energy surface.

Journal: The journal of physical chemistry. A 20061214

Title: Two-dimensional NMR spectroscopy in Earth's magnetic field.

Journal: Journal of magnetic resonance (San Diego, Calif. : 1997) 20061001

Title: The conformational bias of aryl, arylsulfonyl geminally substituted tertiary carbon centers: applications in substrate-based stereocontrol.

Journal: Organic & biomolecular chemistry 20060507

Title: Contrasting roles of the N-methyl-D-aspartate receptor in the production of immobilization by conventional and aromatic anesthetics.

Journal: Anesthesia and analgesia 20060501

Title: Mimicking solvent shells in the gas phase. II. Solvation of K+.

Journal: The Journal of chemical physics 20060114

Title: p-Difluorobenzene-argon ground state intermolecular potential energy surface.

Journal: The journal of physical chemistry. A 20051222

Title: Photoelectron spectroscopy of S1 toluene: II. Intramolecular dynamics of selected vibrational levels in S1 toluene studied by nanosecond and picosecond time-resolved photoelectron spectroscopies.

Journal: The Journal of chemical physics 20051122

Title: Potential-energy surface and van der Waals motions of p-difluorobenzene-argon cation.

Journal: The Journal of chemical physics 20050722

Title: An unusual pi* shape resonance in the near-threshold photoionization of S1 para-difluorobenzene.

Journal: The Journal of chemical physics 20050608

Title: Test of a chemical timing method for measuring absolute vibrational relaxation rate constants for S1 p-difluorobenzene.

Journal: The journal of physical chemistry. B 20050505

Title: Potential-energy surface, dynamics of van der Waals motions, and vibronic transitions in p-difluorobenzene-argon complex.

Journal: The Journal of chemical physics 20050315

Title: Virtual state scattering with cold electrons: para-xylene and para-difluorobenzene.

Journal: The Journal of chemical physics 20050215

Title: High-resolution electronic spectrum of the p-difluorobenzene-water complex: structure and internal rotation dynamics.

Journal: The journal of physical chemistry. A 20050210

Title: Ab initio calculations of stationary points on the benzene-Ar and p-difluorobenzene-Ar potential energy surfaces: barriers to bound orbiting states.

Journal: The Journal of chemical physics 20040908

Title: The intramolecular vibrational energy redistribution threshold in S(1) deuterated p-difluorobenzene.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20040901

Title: A combined experimental and computational investigation of the microscopic external heavy atom effect in van der Waals clusters.

Journal: The Journal of chemical physics 20040708

Title: Characteristics and relaxation dynamics of van der Waals complexes between p-difluorobenzene and Ne.

Journal: The Journal of chemical physics 20040622

Title: Synthesis and antifungal activity of the 2,2,5-tetrahydrofuran regioisomers of SCH 51048.

Journal: Bioorganic & medicinal chemistry letters 20020708

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Tags:540-36-3 Molecular Formula|540-36-3 MDL|540-36-3 SMILES|540-36-3 1,4-Difluorobenzene |Fluorinated_Building_Blocks