Home Nitros 4-Fluoronitrobenzene

4-Fluoronitrobenzene

CAS No.:
350-46-9
Catalog Number:
AG00341G
Molecular Formula:
C6H4FNO2
Molecular Weight:
141.0999
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$63
- +
500g
98%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG00341G
Chemical Name:
4-Fluoronitrobenzene
CAS Number:
350-46-9
Molecular Formula:
C6H4FNO2
Molecular Weight:
141.0999
MDL Number:
MFCD00007282
IUPAC Name:
1-fluoro-4-nitrobenzene
InChI:
InChI=1S/C6H4FNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H
InChI Key:
WFQDTOYDVUWQMS-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)N(=O)=O
EC Number:
206-502-8
UNII:
A2M2FH7XHH
NSC Number:
10281
Properties
Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.023g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.101g/mol
Monoisotopic Mass:
141.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
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
Properties