350-46-9 | 4-Fluoronitrobenzene

Packsize	Purity	Availability	Price	Discounted Price
25g	98%	in stock	$6.00	$5.00
100g	98%	in stock	$17.00	$12.00
500g	98%	in stock	$50.00	$35.00
1000g	98%	in stock	$54.00	$38.00

Description

• Catalog Number: AB45004
• Chemical Name: 4-Fluoronitrobenzene
• CAS Number: 350-46-9
• Molecular Formula: C6H4FNO2
• Molecular Weight: 141.0999
• MDL Number: MFCD00007282
• SMILES: Fc1ccc(cc1)N(=O)=O
• NSC Number: 10281

Computed Properties

• Complexity: 126
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 10
• Hydrogen Bond Acceptor Count: 3
• XLogP3: 1.8

Literature

• Spectroscopic analysis (FT-IR/FT-Raman) and molecular structure investigation on m-fluoronitrobenzene using hybrid computational calculations.

  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120801

• Spectroscopic, electronic structure and natural bond orbital analysis of o-fluoronitrobenzene and p-fluoronitrobenzene: a comparative study.

  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20111215

• Experimental (FT-IR, FT-Raman) and theoretical (HF and DFT) investigation and HOMO and LUMO analysis on the structure of p-fluoronitrobenzene.

  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20111201

• 4-(1,2,4-Triazol-1-yl)aniline.

  Acta crystallographica. Section E, Structure reports online 20110101

• A new synthesis of amino acid-based enantiomerically pure substituted 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxalines.

  Organic & biomolecular chemistry 20100621

• Experimental and computational thermodynamic study of three monofluoronitrobenzene isomers.

  The journal of physical chemistry. B 20100617

• N-[4-(4-Nitro-phen-oxy)phen-yl]propionamide.

  Acta crystallographica. Section E, Structure reports online 20081101

• Molecular structure, conformation, and potential to internal rotation of 2,6- and 3,5-difluoronitrobenzene studied by gas-phase electron diffraction and quantum chemical calculations.

  The journal of physical chemistry. A 20080605

• N-(n-Dec-yl)-4-nitro-aniline.

  Acta crystallographica. Section E, Structure reports online 20080301

• 1,4-Bis(4-amino-phen-oxy)benzene.

  Acta crystallographica. Section E, Structure reports online 20080301

• Quantitative analysis of valienamine in the microbial degradation of validamycin A after derivatization with p-nitrofluorobenzene by reversed-phase high-performance liquid chromatography.

  Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20050925

• Unprecedented chemistry of an aryloxychlorodiazirine: generation of a dihalodiazirine and diazirinone.

  Journal of the American Chemical Society 20050302

• Solvent effects and mechanism for a nucleophilic aromatic substitution from QM/MM simulations.

  Organic letters 20040819

• Meisenheimer complexes bonded at carbon and at oxygen.

  Journal of the American Society for Mass Spectrometry 20040701